UCSF

ZINC22171823

Substance Information

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

Other Names:

MFCD09731193

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) 0.02 0.33 -43.09 3 3 1 40 185.291 3
Hi High (pH 8-9.5) 0.02 0.44 -2.71 2 3 0 38 184.283 3
Mid Mid (pH 6-8) 0.02 1.92 -31.71 3 3 1 40 185.291 3
Mid Mid (pH 6-8) 0.02 2.59 -122.34 4 3 2 41 186.299 3

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% )