| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 4th, 2010 | 16 | Yes |
Popular Name: 4-(4-Fluorobenzyl)-1,4-diazepan-5-one 4-(4-Fluorobenzyl)-1,4-diazepan-…
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CAS Numbers: 1220035-99-3 , N/A
| 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) | 0.79 | 5.45 | -54.59 | 2 | 3 | 1 | 37 | 223.271 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.79 | 4.16 | -9.97 | 1 | 3 | 0 | 32 | 222.263 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
| Warnings | Irritant/Stored under Argon | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.