UCSF

ZINC01578321

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 12 No

Popular Name: (Methylsulfonyl)methanesulfonic acid 2-chloroethyl ester; 2-CMSMS; 2-Chloroethyl (methylsulfonyl)methanesulfonate; 2-chloroethyl-(methylsulfonyl)methanesulfonate; BRN 3606917; C4H9ClO5S2; Chlorethyl SOSO; Clomesone; LS-90340; Methanesulfonic acid, (methyl (Methylsulfonyl)methanesulfonic …

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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) -0.33 -1.82 -20.04 0 5 0 78 236.698 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80193-12-O L1210 (Lymphocytic Leukemia Cells) (cluster #12 Of 12), Other Other 3000 0.64 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80193 Z80193 L1210 (Lymphocytic Leukemia Cells) 3000 0.64 Functional ≤ 10μM

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

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