In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 20th, 2009 | 34 | No |
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) | 3.89 | 12.71 | -68.94 | 1 | 7 | 0 | 87 | 465.594 | 13 | ↓ |
Lo Low (pH 4.5-6) | 3.89 | 11.41 | -54.49 | 2 | 7 | 1 | 84 | 466.602 | 13 | ↓ |