UCSF

ZINC04546442

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2005 23 Yes

Popular Name: 12(R)-HETE 12(R)-HETE

Find On: PubMed — Wikipedia — Google

CAS Numbers: 71030-37-0 , 82337-46-0 , 84807-90-9

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) 5.50 11.75 -45.92 1 3 -1 60 319.465 14 ↓
Lo Low (pH 4.5-6) 5.50 9.78 -7.75 2 3 0 58 320.473 14 ↓

Vendor Notes

Note Type Comments Provided By
Reactome Database Links REACT_150334 ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50592-5-O Oryctolagus Cuniculus (cluster #5 Of 8), Other Other 4000 0.33 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50592 Z50592 Oryctolagus Cuniculus 4000 0.33 Functional ≤ 10μM

Direct Reactome Annotations (via ChEBI)

Description Species
Synthesis of 12-eicosatetraenoic acid derivatives

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