In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 12th, 2010 | 32 | 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) | 4.68 | 11.65 | -9.81 | 0 | 5 | 0 | 42 | 451.929 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.68 | 13.88 | -46 | 1 | 5 | 1 | 43 | 452.937 | 5 | ↓ |