In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 13th, 2008 | 13 | 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) | 2.24 | 2.81 | -27.54 | 4 | 3 | 1 | 52 | 180.275 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.24 | 2.36 | -5.71 | 3 | 3 | 0 | 51 | 179.267 | 3 | ↓ |