UCSF

ZINC20547905

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 18 Yes

Other Names:

MFCD11117609

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) 3.92 7.26 -45.41 2 2 1 20 290.258 6
Mid Mid (pH 6-8) 3.92 8.17 -34.52 2 2 1 16 290.258 6
Mid Mid (pH 6-8) 3.92 9.66 -124.15 3 2 2 21 291.266 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% )