UCSF

ZINC12505142

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 14 Yes

Other Names:

MFCD08691131

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) 0.98 4.52 -10.36 2 3 0 46 210.664 1

Vendor Notes

Note Type Comments Provided By
MP 184 - 186 Enamine Building Blocks
MP 184...186 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID US4208202; US4294606; US4394156 IBM Patent Data

Activity (Go SEA)

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