In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 28th, 2010 | 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) | 0.53 | 0.9 | -44.45 | 3 | 3 | 1 | 40 | 187.307 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.53 | 2.46 | -29.26 | 3 | 3 | 1 | 40 | 187.307 | 6 | ↓ |