UCSF

ZINC21964369

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 18 Yes

Other Names:

MFCD09046028

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) -2.40 3.95 -62.32 2 7 -1 107 252.25 5
Mid Mid (pH 6-8) -2.40 4.47 -74.12 3 7 0 108 253.258 5
Mid Mid (pH 6-8) -2.40 4.66 -61.95 2 7 -1 107 252.25 5

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% )