| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 14th, 2011 | 14 | Yes |
Popular Name: 2-(1H-pyrazol-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole 2-(1H-pyrazol-3-yl)-4,5,6,7-tetr…
| 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) | 2.29 | 4.48 | -9.71 | 1 | 3 | 0 | 42 | 205.286 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO1996040742A1 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.
