UCSF

ZINC19976953

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 16 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) -0.83 0.25 -44.75 2 5 1 49 228.316 2
Hi High (pH 8-9.5) -0.83 -1.16 -8.65 1 5 0 45 227.308 2
Mid Mid (pH 6-8) -0.83 1.03 -34.51 2 5 1 46 228.316 2
Lo Low (pH 4.5-6) -0.83 2.43 -115.14 3 5 2 51 229.324 2

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% )