| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2008 | 12 | Yes |
Popular Name: 2-(1,4-diazepan-1-yl)-N-methylacetamide 2-(1,4-diazepan-1-yl)-N-methylac…
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CAS Number: 87055-37-6
None
| 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) | -0.48 | -0.47 | -43.16 | 3 | 4 | 1 | 49 | 172.252 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.48 | 1.46 | -109.72 | 4 | 4 | 2 | 50 | 173.26 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.48 | 0.07 | -39.1 | 3 | 4 | 1 | 46 | 172.252 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
