UCSF

ZINC66136365

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 24 Yes

Popular Name: 1-[5-(3-isopropoxyphenyl)thiazol-2-yl]piperidine-4-carboxamide 1-[5-(3-isopropoxyphenyl)thiazol…

Find On: PubMed — Wikipedia — Google

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) 3.29 6.64 -13.58 2 5 0 68 345.468 5 ↓
Lo Low (pH 4.5-6) 3.29 7.07 -36.94 3 5 1 70 346.476 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LUCI-1-E Luciferin 4-monooxygenase (cluster #1 Of 1), Eukaryotic Eukaryotes 800 0.36 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
LUCI_LUCLA Q01158 Luciferase, Lucla 800 0.36 Binding ≤ 1μM
LUCI_LUCLA Q01158 Luciferase, Lucla 800 0.36 Binding ≤ 10μM

Rings

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

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