UCSF

ZINC04578939

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2005 9 Yes

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) 2.54 -0.89 -1.56 1 1 0 20 128.215 0

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID EP0134161A1; EP0225580A2; EP0386940A1; EP0589446A1; EP0589446B1; US4111917; US4277498; US4489000; US4590082; US4652670; US4663439; US4664822; US4767551; US5523315; US5554634; US5565476; US5786520; WO1999002475A1; WO2000040535A1 IBM Patent Data

Activity (Go SEA)

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