UCSF

ZINC40847280

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 37 Yes

Popular Name: 6-[(R)-amino-(3-methylimidazol-4-yl)-(2-naphthyl)methyl]-4-(3-chlorophenyl)-1-methyl-quinolin-2-one 6-[(R)-amino-(3-methylimidazol-4…

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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 15.76 -46.88 3 5 1 67 506.029 4 ↓
Mid Mid (pH 6-8) 5.60 15.36 -14.74 2 5 0 66 505.021 4 ↓
Lo Low (pH 4.5-6) 5.60 15.95 -140.33 4 5 2 69 507.037 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50466-2-O Trypanosoma Cruzi (cluster #2 Of 8), Other Other 45 0.28 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50466 Z50466 Trypanosoma Cruzi 45 0.28 Functional ≤ 10μM

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