UCSF

ZINC85473429

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2013 37 No

Popular Name: (1S,3R,4S,5R)-4-((E)-4-(3,4-Dihydroxyphenyl)-2-oxobut-3-en-1-yl)-3-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-5-hydroxy-1-methylcyclohexanecarboxylic acid (1S,3R,4S,5R)-4-((E)-4-(3,4-Dihy…

Find On: PubMed — Wikipedia — Google

CAS Number: 32451-88-0

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.36 3.24 -65.5 5 10 -1 185 511.503 9 ↓

Activity (Go SEA)

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

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