UCSF

ZINC22167627

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 17 No

Other Names:

MFCD09729608

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) 0.22 6.93 -60.15 0 5 -1 78 232.215 3

Vendor Notes

Note Type Comments Provided By
MP 194 - 196 Enamine Building Blocks
MP 194...196 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID EP0312898A2; US5100807; US5105007 IBM Patent Data

Activity (Go SEA)

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