| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 8th, 2012 | 19 | Yes |
Popular Name: 3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine 3-[3-(trifluoromethyl)-1H-pyrazo…
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CAS Number: n/a
None
| 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) | 2.16 | 5.92 | -10.04 | 1 | 5 | 0 | 59 | 271.246 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.16 | 5.88 | -38.12 | 0 | 5 | -1 | 58 | 270.238 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.16 | 6.03 | -8.74 | 1 | 5 | 0 | 59 | 271.246 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.