UCSF

ZINC05260762

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2006 23 No

CAS Number: 57-83-0

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) 3.81 10.68 -9.76 0 2 0 34 314.469 1

Vendor Notes

Note Type Comments Provided By
Target Tyrosine-protein kinase BTK(Q06187)&Choline O-acetyltransferase(P28329)&Beta-nerve growth factor(P01138)&Tumor necrosis factor(P01375)&Interleukin-1 beta(P01584)&Opioid-binding protein/cell adhesion molecule(Q14982)&Tyrosine 3-monooxygenase(P07101)&Mitoge Herbal Ingredients Targets

Activity (Go SEA)

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

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