| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2011 | 15 | Yes |
Popular Name: 1-(2,4-dichlorophenyl)-1,4-diazepane hydrochloride 1-(2,4-dichlorophenyl)-1,4-diaze…
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CAS Number: 1803593-42-1
| 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) | 2.89 | 7.3 | -42.66 | 2 | 2 | 1 | 20 | 246.161 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.89 | 5.99 | -1.44 | 1 | 2 | 0 | 15 | 245.153 | 1 | ↓ |
| 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.
