UCSF

ZINC19487826

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 15 Yes

Other Names:

MFCD09942312

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) -0.47 1.12 -106.87 4 4 2 45 215.341 4
Mid Mid (pH 6-8) -0.47 -1.3 -47.09 3 4 1 43 214.333 4
Mid Mid (pH 6-8) -0.47 1.04 -91.39 4 4 2 45 215.341 4
Lo Low (pH 4.5-6) -0.48 3.33 -193.9 5 4 3 46 216.349 4

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% )