In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 15th, 2010 | 17 | 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) | 1.39 | 6.12 | -72.35 | 1 | 5 | -1 | 82 | 232.215 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.39 | 7.11 | -142.18 | 0 | 5 | -2 | 85 | 231.207 | 2 | ↓ |