| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 8th, 2004 | 27 | No |
Popular Name: N-[(E)-(5-bromo-2-keto-indolin-3-ylidene)amino]-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide N-[(E)-(5-bromo-2-keto-indolin-3…
| 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) | 4.09 | 5.82 | -11.33 | 3 | 7 | 0 | 103 | 444.676 | 3 | ↓ |
| Ref Reference (pH 7) | 4.09 | 5.71 | -15.22 | 3 | 7 | 0 | 103 | 444.676 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.55 | 3.8 | -46.76 | 2 | 7 | -1 | 106 | 443.668 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.55 | 3.99 | -44.69 | 2 | 7 | -1 | 106 | 443.668 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.55 | 4.05 | -37.3 | 2 | 7 | -1 | 106 | 443.668 | 3 | ↓ |
| Hi High (pH 8-9.5) | 5.00 | 4.19 | -42.45 | 2 | 7 | -1 | 109 | 443.668 | 3 | ↓ |
| Hi High (pH 8-9.5) | 5.00 | 4.17 | -52.76 | 2 | 7 | -1 | 109 | 443.668 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.55 | 3.73 | -50.9 | 2 | 7 | -1 | 106 | 443.668 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.09 | 5.74 | -13.75 | 3 | 7 | 0 | 103 | 444.676 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.09 | 5.63 | -16.34 | 3 | 7 | 0 | 103 | 444.676 | 3 | ↓ |
| Mid Mid (pH 6-8) | 5.00 | 3.37 | -18.25 | 3 | 7 | 0 | 107 | 444.676 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![N-[(2-ketoindolin-3-ylidene)amino]-5-phenyl-1H-pyrazole-3-carboxamide](http://zinc12.docking.org/img/rings/230306.gif)