In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 17th, 2010 | 13 | 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) | 0.81 | 0.2 | -46.14 | 4 | 3 | 1 | 61 | 175.211 | 1 | ↓ |
Mid Mid (pH 6-8) | 0.81 | 0.96 | -40.89 | 3 | 3 | 0 | 64 | 174.203 | 1 | ↓ |