In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 2010 | 39 | 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) | 6.07 | 16.71 | -19.03 | 1 | 6 | 0 | 67 | 516.645 | 9 | ↓ |
Mid Mid (pH 6-8) | 6.07 | 17.08 | -40.38 | 2 | 6 | 1 | 68 | 517.653 | 9 | ↓ |