| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 16th, 2004 | 14 | No |
Popular Name: 5,7,7-trimethyl-6,7-dihydro-1H-1,4-diazepine-2,3-dicarbonitrile 5,7,7-trimethyl-6,7-dihydro-1H-1…
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CAS Number: 51802-58-5
| 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) | 1.66 | 3.5 | -11.7 | 1 | 4 | 0 | 72 | 188.234 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 148 - 150 | KeyOrganics |
No pre-computed analogs available. Try a structural similarity search.
