UCSF

ZINC39338621

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 10 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) 2.36 5.01 -36.15 2 1 1 17 142.266 2

Vendor Notes

Note Type Comments Provided By
MP 259 - 261 Enamine Building Blocks
MP 259...261 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID EP0513387A1; EP0934937A1; US5643932; US5677319; US6080764 IBM Patent Data

Activity (Go SEA)

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