UCSF

ZINC18202187

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 27 No

Popular Name: N-[(5-bromo-2-oxo-indolin-3-ylidene)amino]-3,4,5-trimethoxy-benzamide N-[(5-bromo-2-oxo-indolin-3-ylid…

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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) 2.75 4.37 -13.4 2 8 0 102 434.246 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80427-1-O RKO (Colon Carcinoma) (cluster #1 Of 1), Other Other 4400 0.28 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80427 Z80427 RKO (Colon Carcinoma) 4400 0.28 Functional ≤ 10μM

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

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