| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 14 | Yes |
Popular Name: 1-(5-Bromopyrimidin-2-yl)[1,4]diazepane 1-(5-Bromopyrimidin-2-yl)[1,4]di…
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CAS Numbers: 41838-46-4 , 849021-44-9
| 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) | 1.49 | -3.95 | -40.28 | 2 | 4 | 1 | 45 | 258.143 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 203-207° | Matrix Scientific |
| MP | 64-67° | Oakwood Chemical |
| Purity | 95% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.