UCSF

ZINC22148708

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 17 Yes

Other Names:

MFCD09050268

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) -1.12 3.92 -52.46 2 6 -1 98 238.267 6
Mid Mid (pH 6-8) -1.12 4.44 -67.18 3 6 0 99 239.275 6
Mid Mid (pH 6-8) -1.12 5 -61.81 2 6 -1 98 238.267 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% )