In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2008 | 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) | 6.18 | 14.99 | -55.54 | 1 | 2 | 1 | 8 | 475.987 | 3 | ↓ |
Mid Mid (pH 6-8) | 6.18 | 12.67 | -6.31 | 0 | 2 | 0 | 6 | 474.979 | 3 | ↓ |
Mid Mid (pH 6-8) | 6.18 | 14.21 | -51.65 | 1 | 2 | 1 | 8 | 475.987 | 3 | ↓ |