| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 2nd, 2012 | 19 | Yes |
Popular Name: 1-benzyl-3-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine 1-benzyl-3-methyl-2,3,4,5-tetrah…
Find On: PubMed — Wikipedia — Google
CAS Number: 1354954-44-1
| 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) | 3.86 | 9.13 | -29.18 | 2 | 2 | 1 | 16 | 253.369 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.86 | 8.93 | -2.71 | 1 | 2 | 0 | 15 | 252.361 | 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.
