UCSF

ZINC02583341

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 22 No

Popular Name: (1-decyl-2-methyl-quinolin-1-ium-4-yl)amine (1-decyl-2-methyl-quinolin-1-ium…

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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) 2.90 12.08 -23.78 2 2 1 30 299.482 9 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50597-3-O Rattus Norvegicus (cluster #3 Of 12), Other Other 5500 0.33 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50597 Z50597 Rattus Norvegicus 5500 0.33 Functional ≤ 10μM

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