UCSF

ZINC14242980

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2008 29 No

Popular Name: Agaricin Agaricin

Find On: PubMed — Wikipedia — Google

CAS Numbers: 666-99-9 , [666-99-9]

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) 6.12 14.8 -228.05 1 7 -3 141 413.531 20 ↓
Lo Low (pH 4.5-6) 6.12 11.29 -57.33 3 7 -1 135 415.547 20 ↓
Lo Low (pH 4.5-6) 6.12 13.27 -125.06 2 7 -2 138 414.539 20 ↓
Lo Low (pH 4.5-6) 6.12 12.82 -128.55 2 7 -2 138 414.539 20 ↓

Vendor Notes

Note Type Comments Provided By
therap antiperspirant MicroSource Spectrum

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FDFT-1-E Squalene Synthetase (cluster #1 Of 4), Eukaryotic Eukaryotes 9000 0.24 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FDFT_RAT Q02769 Squalene Synthetase, Rat 9000 0.24 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Activation of gene expression by SREBF (SREBP)
Cholesterol biosynthesis
PPARA activates gene expression

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