UCSF

ZINC58538280

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2011 24 Yes

Popular Name: N-[4-[(6-amino-1,3-benzothiazol-2-yl)amino]-3-methoxy-phenyl]methanesulfonamide N-[4-[(6-amino-1,3-benzothiazol-…

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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) 2.76 2.31 -16.23 4 7 0 106 364.452 5 ↓
Mid Mid (pH 6-8) 2.76 2.47 -49.49 3 7 -1 108 363.444 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50417-2-O Leishmania Infantum (cluster #2 Of 4), Other Other 10000 0.29 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50417 Z50417 Leishmania Infantum 10000 0.29 Functional ≤ 10μM

Rings

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

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