In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 16th, 2009 | 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) | 5.25 | 13.57 | -13.62 | 0 | 9 | 0 | 96 | 523.593 | 8 | ↓ |
Mid Mid (pH 6-8) | 5.25 | 15.89 | -64.91 | 1 | 9 | 1 | 98 | 524.601 | 8 | ↓ |