| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 17th, 2010 | 14 | Yes |
Popular Name: (5-methyl-1H-1,2,4-triazol-3-yl)(phenyl)methanamine (5-methyl-1H-1,2,4-triazol-3-yl)…
Find On: PubMed — Wikipedia — Google
CAS Number: 1247802-39-6
| 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) | 0.55 | 3.03 | -40.28 | 4 | 4 | 1 | 69 | 189.242 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.55 | 2.71 | -7.42 | 3 | 4 | 0 | 68 | 188.234 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
No pre-computed analogs available. Try a structural similarity search.
