UCSF

ZINC03008650

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2004 18 Yes

Popular Name: 10,11-Dihydro-5H-dibenz[b,f]azepine-5-carboxamide 10,11-Dihydro-5H-dibenz[b,f]azep…

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CAS Number: 3564-73-6

Download: MOL2 SDF SMILES Flexibase

Physical Representations

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) 3.14 -0.57 -10.02 2 3 0 46 238.29 0 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 204-206? Alfa-Aesar
Melting_Point 204-206° Alfa-Aesar
mechanism Adenosine-Agonist-A1 IBScreen Bioactives
biological_use Anticonvulsant IBScreen Bioactives
mechanism Gabaminergic-A IBScreen Bioactives IBScreen Bioactives
mechanism Gabaminergic-A; Sympathomimetic-Alpha-2; Adenosine-Agonist-A1 ZereneX Building Blocks
mechanism Sodium channel inhibitor IBScreen Bioactives
mechanism Sympathomimetic-Alpha-2 IBScreen Bioactives

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.