UCSF

ZINC35806232

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 18 Yes

CAS Numbers: 6882-66-2 , [52932-74-8]

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) 1.52 7.41 -49.87 1 3 1 26 245.346 0
Hi High (pH 8-9.5) 1.52 5.2 -9.18 0 3 0 25 244.338 0

Vendor Notes

Note Type Comments Provided By
Target RAC-alpha serine/threonine-protein kinase(P31749)&L-selectin(P14151) Herbal Ingredients Targets

Activity (Go SEA)

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

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