| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2011 | 17 | Yes |
Popular Name: 1-cyclopropyl-2-(5,6-dimethyl-1H-1,3-benzodiazol-1-yl)ethan-1-amine dihydrochloride 1-cyclopropyl-2-(5,6-dimethyl-1H…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1376332-64-7 , 1376752-70-3
| 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) | 2.03 | 7.67 | -49.61 | 3 | 3 | 1 | 45 | 230.335 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.03 | 7.41 | -7.92 | 2 | 3 | 0 | 44 | 229.327 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.03 | 8.14 | -111.79 | 4 | 3 | 2 | 47 | 231.343 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 289 - 291 | Enamine Building Blocks |
| MP | 289...291 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
No pre-computed analogs available. Try a structural similarity search.
