In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 22nd, 2009 | 31 | 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) | 2.82 | 9.84 | -13.45 | 0 | 6 | 0 | 45 | 425.573 | 10 | ↓ |
Lo Low (pH 4.5-6) | 2.82 | 12.1 | -47.17 | 1 | 6 | 1 | 46 | 426.581 | 10 | ↓ |