UCSF

ZINC01553338

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2005 27 Yes

Popular Name: 1-Cyclopropyl-3-((1-(3-hydroxypropyl)-1H-benzo[d]imidazol-2-yl)methyl)-1H-imidazo[4,5-c]pyridin-2(3H)-one 1-Cyclopropyl-3-((1-(3-hydroxypr…

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CAS Number: 380603-10-1

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) 1.38 -3.18 -20.44 1 7 0 77 363.421 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50678-1-O Respiratory Syncytial Virus (cluster #1 Of 2), Other Other 43 0.38 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50678 Z50678 Respiratory Syncytial Virus 43 0.38 Functional ≤ 10μM

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

No pre-computed analogs available. Try a structural similarity search.