UCSF

ZINC06117222

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2006 10 Yes

Popular Name: Chroman Chroman

Find On: PubMed — Wikipedia — Google

CAS Numbers: 493-08-3 , [493-08-3]

Download: MOL2 SDF SMILES Flexibase

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Vendors

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) 2.50 0.64 -3.88 0 1 0 9 134.178 0 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID EP0020546A1; EP0020548A1; US4082891; US4197173; US4199648 IBM Patent Data
Patent Database Links EP1369420; EP1972628; US2002099089; US2002198195; US2003176439; WO2006126939; WO2008113559 ChEBI
UniProt Database Links NFRA2_BACSU; YCNE_BACSU ChEBI

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