UCSF

ZINC13782579

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 18 Yes

Popular Name: 1-phenyl-1H-benzimidazole-5-carboxylic acid 1-phenyl-1H-benzimidazole-5-carb…

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CAS Number: 250691-98-6

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) 2.66 8.73 -54.89 0 4 -1 58 237.238 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PGFRB-1-E Platelet-derived Growth Factor Receptor Beta (cluster #1 Of 1), Eukaryotic Eukaryotes 9300 0.39 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PGFRB_MOUSE P05622 Platelet-derived Growth Factor Receptor Beta, Mouse 9300 0.39 Binding ≤ 10μM

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