In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2009 | 19 | 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) | 1.39 | 0.99 | -12.86 | 3 | 5 | 0 | 85 | 342.218 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.39 | 1.46 | -45.79 | 4 | 5 | 1 | 86 | 343.226 | 4 | ↓ |