UCSF

ZINC22212993

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 18 Yes

Other Names:

MFCD09735398

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) -0.12 4.91 -33.19 3 3 1 34 248.394 4
Hi High (pH 8-9.5) -0.12 5.45 -34.76 3 3 1 34 248.394 4
Lo Low (pH 4.5-6) -0.12 7.31 -97 4 3 2 35 249.402 4

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% )