In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2008 | 31 | 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) | 3.08 | 11.61 | -52.48 | 2 | 6 | 1 | 64 | 420.581 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.08 | 12.17 | -81.58 | 3 | 6 | 2 | 65 | 421.589 | 7 | ↓ |