| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 19th, 2010 | 28 | Yes |
Popular Name: 1-[4-[[[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]methyl]phenyl]-3-isopropyl-urea 1-[4-[[[3-(4-fluorophenyl)-1H-py…
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| 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) | 3.22 | 7.4 | -55.6 | 5 | 6 | 1 | 86 | 382.463 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.22 | 7.05 | -15.22 | 4 | 6 | 0 | 82 | 381.455 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.22 | 7.01 | -12.34 | 4 | 6 | 0 | 82 | 381.455 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.22 | 7.38 | -52.45 | 5 | 6 | 1 | 86 | 382.463 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![Benzyl-[(3-phenyl-1H-pyrazol-4-yl)methyl]amine](http://zinc12.docking.org/img/rings/51830.gif)