In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 30th, 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) | 4.54 | 8.33 | -46.08 | 2 | 7 | 1 | 76 | 479.413 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.54 | 5.98 | -11.33 | 1 | 7 | 0 | 74 | 478.405 | 6 | ↓ |