UCSF

ZINC38785095

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2010 11 Yes

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) 0.63 2.02 -39.36 3 2 1 31 157.281 2
Mid Mid (pH 6-8) 0.63 3.87 -115.18 4 2 2 32 158.289 2
Mid Mid (pH 6-8) 0.63 3.5 -28.05 3 2 1 30 157.281 2

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )