In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 15th, 2010 | 21 | 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) | 1.04 | 3.64 | -79.38 | 6 | 5 | 2 | 86 | 286.379 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.04 | 3.21 | -40.91 | 5 | 5 | 1 | 85 | 285.371 | 4 | ↓ |