| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2008 | 13 | Yes |
Popular Name: 4-(3-aminophenyl)-4,5-dihydro-1H-1,2,4-triazol-5-one 4-(3-aminophenyl)-4,5-dihydro-1H…
Find On: PubMed — Wikipedia — Google
CAS Number: 1016771-84-8
| 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) | 0.10 | 1.7 | -50.85 | 2 | 5 | -1 | 80 | 175.171 | 1 | ↓ |
| Mid Mid (pH 6-8) | -0.36 | 2.53 | -13.8 | 3 | 5 | 0 | 77 | 176.179 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 154 - 156 | Enamine Building Blocks |
| MP | 154...156 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
No pre-computed analogs available. Try a structural similarity search.
