UCSF

ZINC31993142

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 15 Yes

Other Names:

MFCD14617886

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) -0.52 -1.5 -45.73 3 4 1 43 214.333 3
Mid Mid (pH 6-8) -0.52 0.53 -37.91 3 4 1 43 214.333 3
Mid Mid (pH 6-8) -0.52 0.85 -116.07 4 4 2 45 215.341 3
Lo Low (pH 4.5-6) -0.52 0.83 -101.21 4 4 2 45 215.341 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% )