UCSF

ZINC01732147

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 14 No

Popular Name: 2-{[(2,4-dichlorophenyl)methyl]sulfanyl}acetic acid 2-{[(2,4-dichlorophenyl)methyl]s…

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CAS Number: 65051-31-2

Other Names:

MFCD02755447

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) 2.96 0.23 -45.25 0 2 -1 40 250.126 4 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID US4122186; US4151300; US4152458; US4183951; US4209523; US4209524; US4325964 IBM Patent Data

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