UCSF

ZINC04468952

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2005 22 Yes

Popular Name: (Z)-N-(4-Hydroxy-3-methoxybenzyl)-8-methylnon-6-enamide (Z)-N-(4-Hydroxy-3-methoxybenzyl…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 25775-90-0 , 404-86-4 , [25775-90-0]

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) 3.10 6.45 -9.87 2 4 0 59 305.418 9 ↓

Vendor Notes

Note Type Comments Provided By
melting_point LMS KeyOrganics
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Tocris Cookson Ltd.; NCC_SUPPLIER_STRUCTURE_ID : 100605 NIH Clinical Collection via PubChem
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Tocris Bioscience; SUPPLIER_STRUCTURE_ID: 100605 NIH Clinical Collection via PubChem

Activity (Go SEA)

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