UCSF

ZINC42171732

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 14 Yes

Other Names:

MFCD14643037

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) 1.94 7 -103.77 3 2 2 21 198.354 3
Hi High (pH 8-9.5) 1.94 5.83 -30.35 2 2 1 16 197.346 3

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID WO1997048681A1 IBM Patent Data

Activity (Go SEA)

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