UCSF

ZINC21519794

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 14 Yes

Other Names:

MFCD11123474

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) -0.88 3.14 -50.9 2 4 1 50 194.258 4
Hi High (pH 8-9.5) -0.88 1.74 -11.09 1 4 0 45 193.25 4
Lo Low (pH 4.5-6) -0.88 2.2 -37.34 2 4 1 46 194.258 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% )