In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 1st, 2009 | 10 | 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) | 1.39 | 6.12 | -44.49 | 0 | 2 | -1 | 40 | 139.174 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.39 | 4.14 | -5.35 | 1 | 2 | 0 | 37 | 140.182 | 3 | ↓ |