| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 25th, 2008 | 12 | Yes |
Popular Name: 1-Cyclopentyl-[1,4]diazepane 1-Cyclopentyl-[1,4]diazepane
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1255718-36-5 , 245070-83-1
1-cyclopentyl-1,4-diazepane bis(4-methylbenzenesulfonate)
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) | 1.31 | 4.18 | -27.63 | 2 | 2 | 1 | 16 | 169.292 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.31 | 2.18 | -1.15 | 1 | 2 | 0 | 15 | 168.284 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.31 | 3.2 | -35.22 | 2 | 2 | 1 | 20 | 169.292 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.31 | 5.44 | -107.47 | 3 | 2 | 2 | 21 | 170.3 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
