In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 9th, 2009 | 34 | 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) | 5.05 | 14.51 | -46.9 | 1 | 6 | 1 | 46 | 460.598 | 9 | ↓ |
Mid Mid (pH 6-8) | 5.05 | 12.17 | -11.39 | 0 | 6 | 0 | 45 | 459.59 | 9 | ↓ |