UCSF

ZINC34273711

Substance Information

In ZINC since Heavy atoms Benign functionality
August 21st, 2009 11 Yes

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) -0.13 -0.95 -37.41 3 3 1 40 159.253 3
Lo Low (pH 4.5-6) -0.13 1.33 -109.77 4 3 2 41 160.261 3
Lo Low (pH 4.5-6) -0.13 -0.01 -31.72 3 3 1 37 159.253 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% )