| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 5th, 2011 | 15 | Yes |
Popular Name: methyl 4-(2H-1,2,3,4-tetrazol-5-yl)benzoate methyl 4-(2H-1,2,3,4-tetrazol-5-…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 82544-82-9 , [82544-82-9]
| 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) | 1.54 | 3.52 | -37.17 | 0 | 6 | -1 | 79 | 203.181 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.54 | 3.53 | -7.84 | 1 | 6 | 0 | 81 | 204.189 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 230 - 232 | Enamine Building Blocks |
| MP | 230...232 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
No pre-computed analogs available. Try a structural similarity search.