In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 7th, 2007 | 36 | 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) | 2.40 | 6.71 | -52.21 | 3 | 9 | 1 | 110 | 497.568 | 9 | ↓ |
Mid Mid (pH 6-8) | 1.82 | 7.39 | -60.09 | 2 | 9 | 1 | 107 | 497.568 | 9 | ↓ |