UCSF

ZINC22168427

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 11 Yes

Other Names:

MFCD09729926

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) 0.70 4.33 -117.51 4 2 2 32 158.289 2
Mid Mid (pH 6-8) 0.70 2.44 -38.33 3 2 1 31 157.281 2
Mid Mid (pH 6-8) 0.70 3.97 -27.5 3 2 1 30 157.281 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% )