| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2010 | 16 | Yes |
Popular Name: 1-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylmethyl)piperazine 1-(4,5,6,7-tetrahydro-1-benzothi…
Find On: PubMed — Wikipedia — Google
CAS Number: 1250557-86-8
| 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) | 2.11 | 5.45 | -38.46 | 2 | 2 | 1 | 20 | 237.392 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.11 | 4.1 | -3.08 | 1 | 2 | 0 | 15 | 236.384 | 2 | ↓ |
| 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.
