| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 14 | Yes |
Popular Name: 2-(azetidin-3-ylsulfanyl)-1H-1,3-benzodiazole hydrochloride 2-(azetidin-3-ylsulfanyl)-1H-1,3…
| 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) | 1.98 | 3.86 | -43.27 | 3 | 3 | 1 | 45 | 206.294 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.98 | 2.17 | -7.26 | 2 | 3 | 0 | 41 | 205.286 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.98 | 4.27 | -92.19 | 4 | 3 | 2 | 47 | 207.302 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
