In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 19th, 2009 | 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) | -1.13 | -2.68 | -44.44 | 4 | 4 | 1 | 60 | 189.279 | 5 | ↓ |
Mid Mid (pH 6-8) | -1.13 | -0.34 | -107.57 | 5 | 4 | 2 | 62 | 190.287 | 5 | ↓ |
Mid Mid (pH 6-8) | -1.13 | -0.66 | -35.33 | 4 | 4 | 1 | 60 | 189.279 | 5 | ↓ |