UCSF

ZINC00164355

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2005 15 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) -1.73 -3.38 -48.98 2 5 -1 89 208.193 4

Vendor Notes

Note Type Comments Provided By
MP 159 - 161 Enamine Building Blocks
MP 159...161 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID US3440279 IBM Patent Data

Activity (Go SEA)

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