In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 19th, 2010 | 15 | 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) | 0.31 | 2.92 | -34.6 | 2 | 3 | 1 | 28 | 213.345 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.31 | 2.92 | -35.32 | 2 | 3 | 1 | 28 | 213.345 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.31 | 5.15 | -111.34 | 3 | 3 | 2 | 29 | 214.353 | 3 | ↓ |