UCSF

ZINC40943620

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 31 Yes

Popular Name: 2-[8-[(2-aminoacetyl)amino]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropyl-acetamide 2-[8-[(2-aminoacetyl)amino]-2-(4…

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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) 3.48 9.34 -55.75 4 7 1 94 442.971 9 ↓
Mid Mid (pH 6-8) 3.48 8.94 -21.4 3 7 0 93 441.963 9 ↓
Lo Low (pH 4.5-6) 3.48 9.94 -99.25 5 7 2 96 443.979 9 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TSPO-1-E Peripheral-type Benzodiazepine Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 14 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TSPO_RAT P16257 Peripheral-type Benzodiazepine Receptor, Rat 14.2 0.35 Binding ≤ 1μM
TSPO_RAT P16257 Peripheral-type Benzodiazepine Receptor, Rat 14.2 0.35 Binding ≤ 10μM

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