In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2009 | 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) | 4.05 | 7.47 | -52.64 | 2 | 7 | 1 | 76 | 462.958 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.05 | 5.11 | -13.12 | 1 | 7 | 0 | 74 | 461.95 | 6 | ↓ |