UCSF

ZINC19880834

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 14 Yes

Other Names:

MFCD11139253

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) 3.16 4.89 -28.49 2 2 0 40 234.126 3
Mid Mid (pH 6-8) 3.16 4.23 -37.19 3 2 1 37 235.134 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% )