| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 24th, 2010 | 14 | Yes |
Popular Name: 1-phenyl-2-(4H-1,2,4-triazol-3-yl)ethan-1-amine hydrochloride 1-phenyl-2-(4H-1,2,4-triazol-3-y…
Find On: PubMed — Wikipedia — Google
CAS Number: 1607291-00-8
| 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) | -1.21 | 3.98 | -39.99 | 4 | 4 | 1 | 69 | 189.242 | 3 | ↓ |
| Hi High (pH 8-9.5) | -1.21 | 3.54 | -6.47 | 3 | 4 | 0 | 68 | 188.234 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 125 - 127 | Enamine Building Blocks |
| MP | 125...127 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
No pre-computed analogs available. Try a structural similarity search.
