UCSF

ZINC14507406

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2008 14 Yes

Other Names:

MFCD11505249

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) 2.17 6.42 -13.64 1 2 0 33 187.242 2

Vendor Notes

Note Type Comments Provided By
MP 168 - 170 Enamine Building Blocks
MP 168...170 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID EP0412848A2; EP0412848B1; US5444071 IBM Patent Data

Activity (Go SEA)

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