UCSF

ZINC01722321

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 8 Yes

Other Names:

MFCD09866571

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) 1.49 0.59 -5.2 0 1 0 17 110.156 0

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97 Fluorochem
PUBCHEM_PATENT_ID US5691111; US5756850 IBM Patent Data

Activity (Go SEA)

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