In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 15th, 2009 | 30 | 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) | 3.47 | 5.96 | -47.65 | 2 | 7 | 1 | 76 | 428.513 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.47 | 3.6 | -12.9 | 1 | 7 | 0 | 74 | 427.505 | 6 | ↓ |