In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 24th, 2011 | 21 | 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) | 2.83 | 7.06 | -88.54 | 5 | 4 | 0 | 61 | 293.455 | 10 | ↓ |
Mid Mid (pH 6-8) | 2.83 | 6.99 | -48.12 | 4 | 4 | 1 | 60 | 292.447 | 10 | ↓ |