UCSF

ZINC22920567

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 15 Yes

Other Names:

MFCD09742781

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) 1.69 5.06 -45.43 3 2 1 31 207.341 6
Hi High (pH 8-9.5) 1.69 6.48 -27.41 3 2 1 30 207.341 6
Hi High (pH 8-9.5) 1.69 4.84 -1.88 2 2 0 29 206.333 6
Mid Mid (pH 6-8) 1.69 6.62 -118.37 4 2 2 32 208.349 6

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% )