| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 17th, 2011 | 12 | Yes |
Popular Name: 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]thiazole 2-[(5-methyl-1H-1,2,4-triazol-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) | 1.15 | 3.32 | -9.41 | 1 | 4 | 0 | 54 | 198.276 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.15 | 3 | -46.36 | 0 | 4 | -1 | 53 | 197.268 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US6080772; WO1998027092A1 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.
