| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 29th, 2008 | 31 | Yes |
Popular Name: 3-[4-[4-[5-(2,4-dichlorophenyl)-2H-pyrazol-3-yl]benzoyl]piperazin-1-yl]propanenitrile 3-[4-[4-[5-(2,4-dichlorophenyl)-…
| 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) | 3.27 | 9.84 | -19.11 | 1 | 6 | 0 | 76 | 454.361 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.27 | 9.77 | -15.18 | 1 | 6 | 0 | 76 | 454.361 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.27 | 12.07 | -66.99 | 2 | 6 | 1 | 77 | 455.369 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.27 | 11.99 | -68.52 | 2 | 6 | 1 | 77 | 455.369 | 5 | ↓ |
