In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 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) | -0.53 | 1.63 | -21.75 | 2 | 5 | 0 | 71 | 235.287 | 6 | ↓ |
Lo Low (pH 4.5-6) | -0.53 | 1.97 | -47.89 | 3 | 5 | 1 | 72 | 236.295 | 6 | ↓ |