UCSF

ZINC43059018

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2010 28 No

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

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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) 2.00 3.05 -15.04 2 9 0 111 385.376 6 ↓
Hi High (pH 8-9.5) 2.46 1.3 -44.84 1 9 -1 114 384.368 6 ↓

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 4000 0.27 Functional ≤ 10μM
Z80928-3-O HCT-116 (Colon Carcinoma Cells) (cluster #3 Of 9), Other Other 6600 0.26 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80928 Z80928 HCT-116 (Colon Carcinoma Cells) 6600 0.26 Functional ≤ 10μM
Z80427 Z80427 RKO (Colon Carcinoma) 4000 0.27 Functional ≤ 10μM

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

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