| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 3rd, 2011 | 15 | Yes |
Popular Name: 1-benzyl-3-methyl-1,4-diazepane 1-benzyl-3-methyl-1,4-diazepane
Find On: PubMed — Wikipedia — Google
CAS Number: 342625-71-2
| 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) | 1.99 | 5.66 | -33.65 | 2 | 2 | 1 | 16 | 205.325 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.99 | 5.05 | -35.97 | 2 | 2 | 1 | 20 | 205.325 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.99 | 6.95 | -109.02 | 3 | 2 | 2 | 21 | 206.333 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
No pre-computed analogs available. Try a structural similarity search.
