UCSF

ZINC68577462

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2011 11 Yes

Other Names:

MFCD19982562

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) -0.57 0.99 -97.72 4 3 2 35 159.277 1
Mid Mid (pH 6-8) -0.57 0.73 -29.95 3 3 1 34 158.269 1
Mid Mid (pH 6-8) -0.57 -1.39 -37.65 3 3 1 34 158.269 1

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% )