UCSF

ZINC49088414

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2010 35 Yes

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

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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) 6.31 15.1 -46.56 3 5 1 67 504.441 5 ↓
Mid Mid (pH 6-8) 6.31 14.77 -14.68 2 5 0 66 503.433 5 ↓
Lo Low (pH 4.5-6) 6.31 15.27 -131.47 4 5 2 69 505.449 5 ↓

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 118 0.28 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50466 Z50466 Trypanosoma Cruzi 118 0.28 Functional ≤ 10μM

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