UCSF

ZINC13831825

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 30 Yes

Popular Name: 1-(2,4-difluorophenyl)sulfonyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine 1-(2,4-difluorophenyl)sulfonyl-4…

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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) 1.81 3.25 -16.17 0 8 0 93 460.48 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KPYM-1-E Pyruvate Kinase Isozymes M1/M2 (cluster #1 Of 1), Eukaryotic Eukaryotes 124 0.32 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KPYM_HUMAN P14618 Pyruvate Kinase Isozymes M1/M2, Human 124 0.32 Binding ≤ 1μM
KPYM_HUMAN P14618 Pyruvate Kinase Isozymes M1/M2, Human 124 0.32 Binding ≤ 10μM

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

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