| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 3rd, 2005 | 27 | Yes |
Popular Name: 4-chlorobenzyl 5-thieno[2,3-b]quinolin-2-yl-1,3,4-oxadiazol-2-yl sulfide 4-chlorobenzyl 5-thieno[2,3-b]qu…
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CAS Number: 439112-42-2
| 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) | 6.22 | 7.72 | -11.57 | 0 | 4 | 0 | 52 | 409.923 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 6.22 | 7.99 | -32.55 | 1 | 4 | 1 | 53 | 410.931 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 232 - 234 | KeyOrganics |
No pre-computed analogs available. Try a structural similarity search.