UCSF

ZINC40893045

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 35 Yes

Popular Name: 6-[(S)-amino-(4-chloro-3-methyl-phenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-q 6-[(S)-amino-(4-chloro-3-methyl-…

Find On: PubMed — Wikipedia — Google

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) 5.47 14.61 -47.53 3 5 1 67 504.441 4 ↓
Mid Mid (pH 6-8) 5.47 14.3 -13.45 2 5 0 66 503.433 4 ↓
Lo Low (pH 4.5-6) 5.47 14.77 -133.93 4 5 2 69 505.449 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 23 0.31 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50466 Z50466 Trypanosoma Cruzi 23 0.31 Functional ≤ 10μM

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