UCSF

ZINC42062620

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2010 15 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) 0.10 2.16 -4.78 3 3 0 55 204.273 1
Mid Mid (pH 6-8) 0.10 2.16 -6.06 3 3 0 55 204.273 1
Mid Mid (pH 6-8) 0.10 2.48 -44.56 4 3 1 57 205.281 1
Mid Mid (pH 6-8) 0.10 2.47 -44.55 4 3 1 57 205.281 1

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% )