UCSF

ZINC40393810

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 25 Yes

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) 5.16 13.91 -35.56 2 3 1 31 326.423 5
Mid Mid (pH 6-8) 5.16 12.96 -7.34 1 3 0 30 325.415 5

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 5000 0.30 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CP26A_HUMAN O43174 Cytochrome P450 26A1, Human 5000 0.30 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Vitamins

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