In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 2009 | 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) | 1.81 | 5.97 | -37.54 | 2 | 3 | 1 | 39 | 229.303 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.81 | 6.43 | -87.2 | 3 | 3 | 2 | 40 | 230.311 | 5 | ↓ |