UCSF

ZINC38342322

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2010 13 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) -0.26 0.11 -91.86 3 5 -1 94 180.187 3
Hi High (pH 8-9.5) -0.44 0.74 -46.82 3 5 -1 91 180.187 4
Mid Mid (pH 6-8) -0.44 1.12 -73.6 4 5 0 93 181.195 4

Vendor Notes

Note Type Comments Provided By
MP 165 - 167 Enamine Building Blocks
MP 165...167 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )