UCSF

ZINC20285851

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 11 Yes

Other Names:

MFCD09040709

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) -0.11 3.43 -48.95 3 1 1 28 158.171 2
Mid Mid (pH 6-8) -0.11 3.1 -3.88 2 1 0 26 157.163 2

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% )

No pre-computed analogs available. Try a structural similarity search.