UCSF

ZINC03814784

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2005 24 Yes

Other Names:

(Z)-5-Fluoro-2-methyl-1-((4-(methylthio)phenyl)methylene)-1H-indene-3-acetic acid

(Z)-5-Fluoro-2-methyl-1-[p-(methylthio)benzylidene]indene-3-acetic acid

(Z)-Sulindac sulfide

1H-Indene-3-acetic acid, 5-fluoro-2-methyl-1-((4-(methylthio)phenyl)methylene)-

1H-Indene-3-acetic acid, 5-fluoro-2-methyl-1-((4-(methylthio)phenyl)methylene)-, (Z)-

1H-Indene-3-acetic acid, 5-fluoro-2-methyl-1-((4-(methylthio)phenyl)methylene)-; 1H-Indene-3-acetic acid, 5-fluoro-2-methyl-1-(4-(methylthio)phenyl)methylene-, (Z)-; 1H-Indene-3-acetic acid, 5-fluoro-2-methyl-1-(p-(methylthio)benzylidene)-; 5-Fluoro-2-met

1H-Indene-3-acetic acid, 5-fluoro-2-methyl-1-(4-(methylthio)phenyl)methylene-, (Z)-

1H-Indene-3-acetic acid, 5-fluoro-2-methyl-1-(p-(methylthio)benzylidene)-

2-[(3E)-6-fluoro-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]acetic acid

2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]acetic acid

2-[6-fluoro-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]acetic acid

32004-67-4

3309-71-5

49627-27-2

5-Fluoro-2-methyl-1-((4-(methylthio)phenyl)methylene)-1H-indene-3-acetic acid

5-fluoro-2-methyl-1-(4-methylthiobenzylidene)inden-3-ylacetic acid

5-Fluoro-2-methyl-1-(p-methylthiobenzylidene)-3-indenyl acetic acid

AC-20512

AC1L3MF1

AC1NS2PY

AC1O0B8G

AC1Q4OEI

AR-1A9608

C20H17FO2S

CHEBI:121650

CHEMBL1408

CHEMBL18797

CID10569396

CID5352624

CID6034911

CID91605

DAP001429

EINECS 250-892-2

EINECS 256-403-9

KST-1B3169

LS-174363

MolPort-003-850-356

NCGC00161601-01

S3131_SIGMA

Sulindac sulfide

UNM-0000306137

UPCMLD-DP020

UPCMLD-DP020:001

{5-fluoro-2-methyl-1-[4-(methylsulfanyl)benzylidene]-1h-inden-3-yl}acetic acid

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) 3.74 2.29 -56.58 0 2 -1 40 339.411 4

Activity (Go SEA)

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