UCSF

ZINC04200308

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2005 14 Yes

Popular Name: 1-(3,4-DIHYDRO-2H-1,5-BENZODIOXEPIN-7-YL)ETHAN-1-ONE 1-(3,4-DIHYDRO-2H-1,5-BENZODIOXE…

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CAS Numbers: 22776-09-6 , [22776-09-6]

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) 1.62 4.83 -7.57 0 3 0 36 192.214 1 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 120?/0.5mm Alfa-Aesar
Boiling_Point 120°/0.5mm Alfa-Aesar

Activity (Go SEA)

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