In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 11 | 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) | -0.04 | 1.43 | -100.24 | 4 | 3 | 2 | 41 | 162.277 | 5 | ↓ |
Mid Mid (pH 6-8) | -0.04 | -0.72 | -31.83 | 3 | 3 | 1 | 40 | 161.269 | 5 | ↓ |
Mid Mid (pH 6-8) | -0.04 | 0.17 | -31.56 | 3 | 3 | 1 | 37 | 161.269 | 5 | ↓ |