UCSF

ZINC49087808

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2010 26 No

Popular Name: N-[(E)-(4-tert-butylphenyl)methyleneamino]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-amine N-[(E)-(4-tert-butylphenyl)methy…

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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) 5.60 13.09 -10.5 1 4 0 50 364.518 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50457-1-O Leishmania Amazonensis (cluster #1 Of 3), Other Other 1700 0.31 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50457 Z50457 Leishmania Amazonensis 1700 0.31 Functional ≤ 10μM

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