| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 23rd, 2011 | 15 | Yes |
Popular Name: 4-(1H-Imidazol-1-ylmethyl)-3-methylisoxazole-5-carboxylic acid hydrobromide 4-(1H-Imidazol-1-ylmethyl)-3-met…
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CAS Numbers: , 1332528-81-0
4-(1H-imidazol-1-ylmethyl)-3-methyl-1,2-oxazole-5-carboxylic acid
5-isoxazolecarboxylic acid, 4-(1H-imidazol-1-ylmethyl)-3-methyl-, hydrobromide
5-isoxazolecarboxylic acid, 4-(1H-imidazol-1-ylmethyl)-3-methyl-, monohydrobromide
| 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) | 0.03 | 6.42 | -44.13 | 1 | 6 | 0 | 85 | 207.189 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.03 | 5.9 | -47.81 | 0 | 6 | -1 | 84 | 206.181 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.
