In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2011 | 20 | 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) | 4.83 | 7.21 | -6.15 | 3 | 4 | 0 | 64 | 276.38 | 6 | ↓ |
Lo Low (pH 4.5-6) | 4.83 | 7.05 | -45.39 | 4 | 4 | 1 | 66 | 277.388 | 6 | ↓ |