In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 8th, 2010 | 17 | No |
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) | 3.24 | 5.85 | -11.67 | 1 | 4 | 0 | 55 | 232.283 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.24 | 6.98 | -62.39 | 0 | 4 | -1 | 57 | 231.275 | 4 | ↓ |