| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 17th, 2011 | 17 | Yes |
Popular Name: 4-chloro-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-benzothiazole 4-chloro-2-[(4-methyl-1,2,4-tria…
| 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) | 3.26 | 8.28 | -17.87 | 0 | 4 | 0 | 44 | 282.781 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US6080772; WO1998027092A1 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.
