In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 31st, 2009 | 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) | 4.12 | 10.96 | -24.33 | 1 | 7 | 0 | 78 | 490.416 | 5 | ↓ |
Hi High (pH 8-9.5) | 4.30 | 8.71 | -60.63 | 0 | 7 | -1 | 85 | 489.408 | 5 | ↓ |