UCSF

ZINC38734034

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2010 25 No

Popular Name: 1-isopropyl-4-[(Z)-(1-methyl-2-quinolylidene)methyl]quinolin-1-ium 1-isopropyl-4-[(Z)-(1-methyl-2-q…

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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) 0.53 13.52 -22.5 0 2 1 9 327.451 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80055-2-O CAKI-1 (Kidney Carcinoma Cells) (cluster #2 Of 2), Other Other 51 0.41 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80055 Z80055 CAKI-1 (Kidney Carcinoma Cells) 51 0.41 Functional ≤ 10μM

Rings

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

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