| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 23rd, 2010 | 22 | Yes |
Popular Name: 5-methyl-3-[[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methyl]isoxazole 5-methyl-3-[[4-[3-(2,2,2-trifluo…
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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) | 1.76 | 5.48 | -46.25 | 1 | 5 | 1 | 43 | 322.351 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.76 | 5.49 | -41.3 | 1 | 5 | 1 | 43 | 322.351 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.76 | 3.22 | -9.99 | 0 | 5 | 0 | 42 | 321.343 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
