UCSF

ZINC03378465

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 16 Yes

Popular Name: 2-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-pyrrolidine 2-(3,4-Dihydro-2H-benzo[b][1,4]d…

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CAS Numbers: 851788-21-1 , N/A , [851788-21-1]

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) 1.86 5.39 -42.76 2 3 1 35 220.292 1 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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