UCSF

ZINC33359461

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 3rd, 2009 12 Yes

Popular Name: 8-Bromochroman-4-one 8-Bromochroman-4-one

Find On: PubMed — Wikipedia — Google

CAS Numbers: 204377-88-8 , [204377-88-8]

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) 2.36 4.91 -6.21 0 2 0 26 227.057 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 62 - 64 Enamine Building Blocks
MP 62...64 Enamine Building Blocks
MP 63 - 65 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID WO1998009969A1 IBM Patent Data

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