UCSF

ZINC00122928

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 16 Yes

Popular Name: 4-(1H-Benzoimidazol-2-yl)-phenylamine 4-(1H-Benzoimidazol-2-yl)-phenyl…

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CAS Number: 2963-77-1

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 2.62 4.93 -9.62 3 3 0 55 209.252 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 218 - 222 Enamine Building Blocks
MP 219 - 221 Enamine Building Blocks
MP 219...221 Enamine Building Blocks
MP 237-239° Matrix Scientific
MP 241 - 243 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80224-5-O MCF7 (Breast Carcinoma Cells) (cluster #5 Of 14), Other Other 0 0.00 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80224 Z80224 MCF7 (Breast Carcinoma Cells) 0.1 0.88 Functional ≤ 10μM

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