In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2010 | 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) | 3.82 | 13.3 | -75.33 | 1 | 7 | 0 | 87 | 466.578 | 13 | ↓ |
Lo Low (pH 4.5-6) | 3.82 | 12.39 | -47.84 | 2 | 7 | 1 | 84 | 467.586 | 13 | ↓ |