In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 2010 | 31 | 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) | 2.73 | 7.04 | -17.1 | 5 | 9 | 0 | 126 | 420.473 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.73 | 7.02 | -43.39 | 6 | 9 | 1 | 127 | 421.481 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.73 | 6.96 | -44.29 | 6 | 9 | 1 | 127 | 421.481 | 6 | ↓ |