In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 12th, 2010 | 32 | Yes |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 4.99 | 11.84 | -11.37 | 0 | 5 | 0 | 42 | 447.966 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.99 | 14.05 | -54.02 | 1 | 5 | 1 | 43 | 448.974 | 5 | ↓ |