UCSF

ZINC41167479

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 11 Yes

Other Names:

MFCD16300980

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) -0.05 0.32 -37.71 2 3 1 29 159.253 3
Lo Low (pH 4.5-6) -0.05 2.6 -105.64 3 3 2 30 160.261 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% )