In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 19th, 2010 | 17 | 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) | 0.87 | 5.32 | -35.51 | 1 | 4 | 1 | 28 | 240.371 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.87 | 5.24 | -36.36 | 1 | 4 | 1 | 28 | 240.371 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.87 | 3.03 | -7.61 | 0 | 4 | 0 | 27 | 239.363 | 3 | ↓ |