| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 12th, 2010 | 24 | Yes |
Popular Name: [4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(2-ethyl-5-methyl-pyrazol-3-yl)methanone [4-[(4-chlorophenyl)methyl]piper…
| 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) | 2.63 | 7.31 | -9.48 | 0 | 5 | 0 | 41 | 346.862 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.63 | 9.53 | -53.94 | 1 | 5 | 1 | 43 | 347.87 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
