| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 17th, 2011 | 19 | Yes |
Popular Name: 6-methylsulfonyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-benzothiazole 6-methylsulfonyl-2-(1H-1,2,4-tri…
| 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) | 1.41 | 3.08 | -49.16 | 0 | 6 | -1 | 87 | 311.393 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.41 | 3.26 | -18.95 | 1 | 6 | 0 | 89 | 312.401 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US6080772; WO1998027092A1 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.
