In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 15th, 2006 | 42 | 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) | 5.86 | 1.07 | -17.49 | 1 | 7 | 0 | 85 | 563.65 | 12 | ↓ |
Mid Mid (pH 6-8) | 5.27 | 0.96 | -25.12 | 0 | 7 | 0 | 82 | 563.65 | 12 | ↓ |