In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 15th, 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) | 1.16 | 6.97 | -61.89 | 2 | 4 | 0 | 57 | 248.326 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.16 | 8.17 | -110.69 | 3 | 4 | 1 | 61 | 249.334 | 6 | ↓ |