Endpoint·Computed · in silico·Physicochemical
Rotatable bonds
rotatable_bonds · Structure-derived
Non-ring single bonds to non-terminal heavy atoms, EXCLUDING amide C–N bonds (Veber strict definition; confirmed on reference molecules). Macrocycle ring bonds excluded by definition.
Computed value — a deterministic descriptor validated against independent reference implementations; not an experimental measurement, and it carries no evidence support-class. Computed from the chemical structure (RDKit) for peptide-scale molecules (MW ≤ 10 kDa). Not available for peptidoforms without a resolved structure (SMILES) — e.g. many disulfide-rich peptides.
- Peptides14,327
- Min0