UCSF

ZINC08623418

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 28th, 2007 29 Yes

Popular Name: N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)-nona-2,4,6,8-tetraenamide N-(4-hydroxyphenyl)-3,7-dimethyl…

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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) 6.88 0.98 -10.87 2 3 0 49 391.555 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
RET4-1-E Plasma Retinol-binding Protein (cluster #1 Of 1), Eukaryotic Eukaryotes 245 0.32 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
RET4_HUMAN P02753 Plasma Retinol-binding Protein, Human 245 0.32 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Retinoid cycle disease events
Retinoid metabolism and transport
The canonical retinoid cycle in rods (twilight vision)

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