UCSF

ZINC00075724

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 20 Yes

Popular Name: acetic-acid-(1-acetyl-2,2,4-trimethyl-6-quinolyl)-ester acetic-acid-(1-acetyl-2,2,4-trim…

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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) 2.16 3.7 -10.64 0 4 0 46 273.332 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50725-1-O Trypanosoma Brucei Rhodesiense (cluster #1 Of 7), Other Other 5300 0.37 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50725 Z50725 Trypanosoma Brucei Rhodesiense 5300 0.37 Functional ≤ 10μM

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