| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 17th, 2010 | 8 | No |
Popular Name: pyridin-4-yl-methanethiol pyridin-4-yl-methanethiol
Find On: PubMed — Wikipedia — Google
CAS Number: 1822-53-3
| 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) | 0.94 | 3.58 | -4.22 | 0 | 1 | 0 | 13 | 125.196 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.94 | 4.12 | -41.08 | 0 | 1 | -1 | 13 | 124.188 | 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.