UCSF

ZINC00577456

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 16 Yes

Popular Name: 1-phenyl-1H-1,3-benzodiazol-5-amine 1-phenyl-1H-1,3-benzodiazol-5-amine

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CAS Number: 53897-95-3

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) 1.82 7.01 -8.81 2 3 0 44 209.252 1 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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 2700 0.49 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 2700 0.49 Binding ≤ 10μM

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