UCSF

ZINC05775092

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2006 23 Yes

Popular Name: 2-(2-phenylsulfanylacetyl)amino-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide 2-(2-phenylsulfanylacetyl)amino-…

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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) 2.88 -4.27 -13.31 3 4 0 72 346.477 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z100405-1-O MV4-11 (Myeloid Leukemia Cells) (cluster #1 Of 1), Other Other 3800 0.33 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z100405 Z100405 MV4-11 (Myeloid Leukemia Cells) 3800 0.33 Functional ≤ 10μM

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

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