| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 20th, 2010 | 29 | Yes |
Popular Name: 7-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-(3,4,5-trifluorophenyl)-1,2-benzoxazol-6-ol 7-[[4-(2-hydroxyethyl)piperazin-…
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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) | 2.70 | 3.77 | -41.18 | 3 | 6 | 1 | 74 | 408.4 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.70 | 2.08 | -40.77 | 1 | 6 | -1 | 76 | 406.384 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.70 | 3.84 | -40.79 | 3 | 6 | 1 | 74 | 408.4 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.70 | 1.51 | -10.48 | 2 | 6 | 0 | 73 | 407.392 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
