| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 2nd, 2012 | 19 | Yes |
Popular Name: tert-butyl 2-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-carboxylate tert-butyl 2-methyl-2,3,4,5-tetr…
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CAS Number: 1354954-18-9
| 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) | 3.35 | 6.94 | -5.63 | 1 | 4 | 0 | 42 | 262.353 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 3.35 | 7.4 | -38.58 | 2 | 4 | 1 | 46 | 263.361 | 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.
