| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2008 | 17 | Yes |
Popular Name: [1,3-dimethyl-5-(4-methyl-1,4-diazepan-1-yl)-1H-pyrazol-4-yl]methanamine [1,3-dimethyl-5-(4-methyl-1,4-di…
Find On: PubMed — Wikipedia — Google
CAS Number: 1152579-20-8
| 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) | 0.11 | 3.4 | -103.22 | 4 | 5 | 2 | 53 | 239.367 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.11 | 1.29 | -45.79 | 3 | 5 | 1 | 52 | 238.359 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.11 | 3.51 | -175.39 | 5 | 5 | 3 | 54 | 240.375 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
