UCSF

ZINC04206776

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 15 Yes

Popular Name: 9-Chloro-3,4-dihydro-2H-benzo[b][1,4]dioxepine-7-carboxylic acid 9-Chloro-3,4-dihydro-2H-benzo[b]…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 855991-71-8 , [855991-71-8]

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) 2.43 -0.17 -45.95 0 4 -1 59 227.623 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 195 - 197 Enamine Building Blocks
MP 199 - 201 Enamine Building Blocks
MP 199...201 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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