In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 4th, 2008 | 26 | 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) | 4.39 | 12.4 | -46.64 | 2 | 4 | 1 | 46 | 411.323 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.39 | 10.21 | -12.62 | 1 | 4 | 0 | 45 | 410.315 | 7 | ↓ |