| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 23rd, 2008 | 17 | Yes |
Popular Name: 1-{4-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,4-diazepan-1-yl}-1-ethanone 1-{4-[(2-chloro-1,3-thiazol-5-yl…
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CAS Number: 1092346-82-1
| 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) | 1.24 | 4.39 | -9.43 | 0 | 4 | 0 | 36 | 273.789 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.24 | 6.27 | -50.87 | 1 | 4 | 1 | 38 | 274.797 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | Oil | KeyOrganics |
No pre-computed analogs available. Try a structural similarity search.
