In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 14th, 2010 | 36 | 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) | 4.79 | 13.85 | -21.76 | 0 | 7 | 0 | 84 | 477.52 | 3 | ↓ |
Lo Low (pH 4.5-6) | 4.79 | 14.37 | -35.75 | 1 | 7 | 1 | 85 | 478.528 | 3 | ↓ |