| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2007 | 21 | Yes |
Popular Name: 4-(4-benzylpiperazin-1-yl)-3-chloroaniline 4-(4-benzylpiperazin-1-yl)-3-chl…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 55403-32-2 , N/A , [55403-32-2]
| 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) | 3.01 | 9.29 | -33.73 | 3 | 3 | 1 | 34 | 302.829 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.01 | 7.08 | -3.78 | 2 | 3 | 0 | 32 | 301.821 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.