| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 3rd, 2011 | 14 | Yes |
Popular Name: 1-methyl-3-phenyl-1,4-diazepane dihydrochloride 1-methyl-3-phenyl-1,4-diazepane …
Find On: PubMed — Wikipedia — Google
CAS Number: 1803587-11-2
| 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) | 1.84 | 5.76 | -35.94 | 2 | 2 | 1 | 16 | 191.298 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.84 | 3.68 | -2.16 | 1 | 2 | 0 | 15 | 190.29 | 1 | ↓ |
| 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.
