| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 2nd, 2012 | 21 | Yes |
Popular Name: ethyl 3-(piperazin-1-ylmethyl)-1-benzothiophene-2-carboxylate dihydrochloride ethyl 3-(piperazin-1-ylmethyl)-1…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1354950-45-0 , 1355004-60-2
| 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) | 2.38 | 6.18 | -42.62 | 2 | 4 | 1 | 46 | 305.423 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.38 | 4.84 | -6.76 | 1 | 4 | 0 | 42 | 304.415 | 5 | ↓ |
| 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.
