| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2008 | 18 | Yes |
Popular Name: 3-(4-methyl-1,4-diazepane-1-sulfonyl)aniline 3-(4-methyl-1,4-diazepane-1-sulf…
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CAS Number: 1042561-91-0
| 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) | 0.47 | 2.95 | -45.03 | 3 | 5 | 1 | 68 | 270.378 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.47 | 0.8 | -10.45 | 2 | 5 | 0 | 67 | 269.37 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
