UCSF

ZINC00900263

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 18 Yes

Popular Name: 50333-13-6; 5H-Pyrano(3,2-c)quinolin-5-one, 2,6-dihydro-2,2,6-trimethyl-; C10731; N-Methylflindersine 50333-13-6; 5H-Pyrano(3,2-c)quin…

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CAS Number: 50333-13-6

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) 3.11 1.44 -11.85 0 3 0 31 241.29 0 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z100748-1-O Neutrophils (cluster #1 Of 2), Other Other 4280 0.42 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z100748 Z100748 Neutrophils 4280 0.42 Functional ≤ 10μM

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