In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 16th, 2008 | 35 | 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) | 2.52 | 7.61 | -56.09 | 0 | 8 | -1 | 95 | 478.569 | 9 | ↓ |
Mid Mid (pH 6-8) | 2.52 | 9.96 | -72.81 | 1 | 8 | 0 | 96 | 479.577 | 9 | ↓ |