UCSF

ZINC03791929

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2005 30 Yes

Popular Name: gamma-tocotrienol gamma-tocotrienol

Find On: PubMed — Wikipedia — Google

CAS Number: 14101-61-2

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) 9.03 15.25 -5.09 1 2 0 29 410.642 9 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0103816A2; EP0335972A1; EP0335972B2; EP0421419A2; EP0421419A3; EP0497673B1; EP0543417A1; EP0571928A1; EP0595635A1; EP0597025A1; EP0597025B1; EP0610742A1; EP0610742B1; EP0669132A1; EP0698609A1; EP0710665A1; EP0742012A2; EP0753315A3; EP0801565A1; EP082843 IBM Patent Data
UniProt Database Links GTOMC_ARATH; GTOMC_ORYSJ; TOCC_ARATH; TOCC_MAIZE; TOCC_ORYSJ ChEBI
Patent Database Links US2005065099; US2005124688; US2007238886 ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z81020-3-O HepG2 (Hepatoblastoma Cells) (cluster #3 Of 8), Other Other 5900 0.24 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z81020 Z81020 HepG2 (Hepatoblastoma Cells) 2800 0.26 Functional ≤ 10μM

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

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