In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2009 | 33 | No |
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) | 3.87 | 8.1 | -48.11 | 2 | 10 | 1 | 122 | 489.965 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.87 | 5.75 | -10.97 | 1 | 10 | 0 | 120 | 488.957 | 7 | ↓ |