UCSF

ZINC13675264

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 27 Yes

Popular Name: R-115866 R-115866

Find On: PubMed — Wikipedia — Google

CAS Numbers: 201410-53-9 , [201410-53-9]

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) 5.72 13.94 -13.39 1 5 0 56 377.517 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CP26A-1-E Cytochrome P450 26A1 (cluster #1 Of 1), Eukaryotic Eukaryotes 5 0.43 Binding ≤ 10μM
Z102178-1-O Liver Microsomes (cluster #1 Of 2), Other Other 9000 0.26 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CP26A_HUMAN O43174 Cytochrome P450 26A1, Human 5 0.43 Binding ≤ 1μM
CP26A_HUMAN O43174 Cytochrome P450 26A1, Human 5 0.43 Binding ≤ 10μM
Z102178 Z102178 Liver Microsomes 9000 0.26 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Vitamins

Rings

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

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