| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 24th, 2010 | 13 | Yes |
Popular Name: phenyl(1H-1,2,4-triazol-3-yl)methanamine phenyl(1H-1,2,4-triazol-3-yl)met…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1250039-43-0 , 1432680-52-8
| 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) | 0.46 | 3.19 | -41.25 | 4 | 4 | 1 | 69 | 175.215 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.46 | 2.86 | -8.3 | 3 | 4 | 0 | 68 | 174.207 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 277 - 279 | Enamine Building Blocks |
| MP | 277...279 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
No pre-computed analogs available. Try a structural similarity search.
