| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 27th, 2009 | 14 | Yes |
Popular Name: 3-(4-Acetyl-1,4-diazepan-1-yl)propan-1-amine 3-(4-Acetyl-1,4-diazepan-1-yl)pr…
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CAS Number: 928003-94-5
| 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) | -1.06 | 1.15 | -47.1 | 3 | 4 | 1 | 51 | 200.306 | 3 | ↓ |
| Hi High (pH 8-9.5) | -1.06 | 3.15 | -39.33 | 3 | 4 | 1 | 51 | 200.306 | 3 | ↓ |
| Mid Mid (pH 6-8) | -1.06 | 3.53 | -106.14 | 4 | 4 | 2 | 52 | 201.314 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
