UCSF

ZINC20283786

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 11 Yes

Other Names:

MFCD09734572

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) 0.28 2.38 -50.17 3 3 1 44 152.221 2
Hi High (pH 8-9.5) 0.28 2 -5.5 2 3 0 42 151.213 2
Hi High (pH 8-9.5) 0.28 2.27 -27.54 3 3 1 43 152.221 2

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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