UCSF

ZINC13863963

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 27th, 2008 38 Yes

Popular Name: N-[(4-aminophenyl)methyl]-N-[(1S)-1-(ethoxymethyl)-3-methyl-butyl]-4-[(2-methylimidazo[4,5-c]pyridin N-[(4-aminophenyl)methyl]-N-[(1S…

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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) 3.87 10.98 -16.92 2 8 0 103 535.714 12 ↓
Lo Low (pH 4.5-6) 3.87 11.1 -46.66 3 8 1 105 536.722 12 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50592-3-O Oryctolagus Cuniculus (cluster #3 Of 8), Other Other 16 0.29 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50592 Z50592 Oryctolagus Cuniculus 16 0.29 Functional ≤ 10μM

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