| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 16th, 2008 | 21 | No |
Popular Name: 4-(3-Pyridin-2-yl-1h-pyrazol-4-yl)quinoline 4-(3-Pyridin-2-yl-1h-pyrazol-4-y…
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CAS Number: 396129-53-6
| 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) | 2.29 | 5.73 | -8.89 | 0 | 4 | 0 | 51 | 272.311 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.29 | 6 | -35.48 | 1 | 4 | 1 | 52 | 273.319 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.29 | 5.84 | -30.98 | 1 | 4 | 1 | 52 | 273.319 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.29 | 6.11 | -91.22 | 2 | 4 | 2 | 53 | 274.327 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.