In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 7th, 2009 | 9 | 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) | 0.08 | 1.63 | -115.24 | 5 | 2 | 2 | 44 | 130.235 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.08 | 0.43 | -42.42 | 4 | 2 | 1 | 40 | 129.227 | 3 | ↓ |