| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 15th, 2006 | 14 | No |
Popular Name: 2-{[(4-cyanophenyl)methyl]sulfanyl}acetic acid 2-{[(4-cyanophenyl)methyl]sulfan…
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CAS Numbers: 178270-52-5 , N/A
| 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) | 1.43 | 7.61 | -44.96 | 0 | 3 | -1 | 64 | 206.246 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 86 - 88 | Enamine Building Blocks |
| MP | 86...88 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
No pre-computed analogs available. Try a structural similarity search.