UCSF

ZINC04206206

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 10 No

Popular Name: 2-Chloro-1-(5-methyl-thiophen-2-yl)-ethanone 2-Chloro-1-(5-methyl-thiophen-2-…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 31772-42-6 , [31772-42-6]

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) 2.19 0.6 -6.64 0 1 0 17 174.652 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 39 - 41 Enamine Building Blocks
MP 45 - 47 Enamine Building Blocks
MP 45...47 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.