| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2010 | 19 | Yes |
Popular Name: 1-[2-(4-chlorophenyl)ethyl]-1H-1,3-benzodiazol-5-amine 1-[2-(4-chlorophenyl)ethyl]-1H-1…
Find On: PubMed — Wikipedia — Google
CAS Number: 1493318-64-1
| 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) | 3.03 | 8.9 | -10.43 | 2 | 3 | 0 | 44 | 271.751 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.03 | 9.38 | -36.2 | 3 | 3 | 1 | 45 | 272.759 | 3 | ↓ |
| 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.
