In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2010 | 24 | Yes |
Popular Name: 2-(3-chlorophenyl)-2-methyl-1-[4-(2-pyridyl)piperazin-1-yl]propan-1-one 2-(3-chlorophenyl)-2-methyl-1-[4…
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) | 3.78 | 10.29 | -36.03 | 1 | 4 | 1 | 38 | 344.866 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.78 | 9.97 | -8.5 | 0 | 4 | 0 | 36 | 343.858 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.