| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 3rd, 2011 | 14 | Yes |
Popular Name: 1-(propan-2-yl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine 1-(propan-2-yl)-2,3,4,5-tetrahyd…
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CAS Number: 1267815-44-0
| 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) | 2.08 | 5.96 | -38.52 | 2 | 2 | 1 | 20 | 191.298 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.08 | 4.71 | -2.86 | 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.
