In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2009 | 18 | 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) | 0.84 | 3.03 | -33.61 | 4 | 4 | 1 | 64 | 248.35 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.84 | 5.3 | -87.33 | 5 | 4 | 2 | 65 | 249.358 | 4 | ↓ |