In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 27th, 2009 | 33 | 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) | 4.49 | 10.63 | -17.57 | 1 | 7 | 0 | 84 | 476.687 | 12 | ↓ |
Lo Low (pH 4.5-6) | 4.49 | 11.03 | -42.64 | 2 | 7 | 1 | 86 | 477.695 | 12 | ↓ |