UCSF

ZINC34355599

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 10 Yes

Other Names:

MFCD16842434

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) -0.66 -1.67 -35.91 3 3 1 40 145.226 2
Hi High (pH 8-9.5) -0.66 -3 -3.71 2 3 0 35 144.218 2

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID US5808062 IBM Patent Data

Activity (Go SEA)

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