In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 4th, 2010 | 39 | 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) | 1.39 | 5.17 | -62.97 | 0 | 11 | -1 | 119 | 539.561 | 9 | ↓ |
Mid Mid (pH 6-8) | 1.39 | 7.43 | -82.01 | 1 | 11 | 0 | 120 | 540.569 | 9 | ↓ |