In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 13th, 2008 | 13 | 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) | 1.89 | 6.89 | -39.67 | 1 | 2 | 1 | 17 | 179.287 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.89 | 7.17 | -94.55 | 2 | 2 | 2 | 19 | 180.295 | 5 | ↓ |