In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 15th, 2010 | 36 | 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) | 4.32 | 12.66 | -12.57 | 0 | 7 | 0 | 82 | 502.954 | 7 | ↓ |
Lo Low (pH 4.5-6) | 4.32 | 13.12 | -46.82 | 1 | 7 | 1 | 83 | 503.962 | 7 | ↓ |