UCSF

ZINC08698543

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2007 11 Yes

Popular Name: 2,3,4,5-Tetrahydro-1H-benzo[b]azepine 2,3,4,5-Tetrahydro-1H-benzo[b]az…

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CAS Numbers: 1701-57-1 , [1701-57-1]

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) 2.58 5.2 -2.02 1 1 0 12 147.221 0 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95+% Matrix Scientific
Purity 97% Fluorochem
PUBCHEM_PATENT_ID EP0207140A1; US4721721; US4818755 IBM Patent Data
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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