UCSF

ZINC20429199

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 12 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) -0.29 1.8 -88.28 4 3 2 35 173.304 3
Mid Mid (pH 6-8) -0.29 1.67 -109.74 4 3 2 35 173.304 3
Mid Mid (pH 6-8) -0.29 -0.67 -42.77 3 3 1 34 172.296 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% )