In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 31st, 2010 | 17 | 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) | 3.29 | 7.37 | -11.38 | 1 | 3 | 0 | 50 | 233.311 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.95 | 6.11 | -47.49 | 0 | 3 | -1 | 53 | 232.303 | 4 | ↓ |