UCSF

ZINC36379071

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2009 28 Yes

Popular Name: 1,4-bis[(2,6-difluorophenyl)sulfonyl]piperazine 1,4-bis[(2,6-difluorophenyl)sulf…

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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) 2.51 4.72 -19.78 0 6 0 75 438.424 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 66 0.36 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KPYM_HUMAN P14618 Pyruvate Kinase Isozymes M1/M2, Human 66 0.36 Binding ≤ 1μM
KPYM_HUMAN P14618 Pyruvate Kinase Isozymes M1/M2, Human 66 0.36 Binding ≤ 10μM

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