UCSF

ZINC35679860

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 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) -1.46 -1.02 -60.51 3 5 1 60 214.289 3
Hi High (pH 8-9.5) -1.46 -1.31 -8.91 2 5 0 59 213.281 3
Mid Mid (pH 6-8) -1.46 1.25 -109.37 4 5 2 62 215.297 3

Vendor Notes

Note Type Comments Provided By
MP 239 - 241 Enamine Building Blocks
MP 239...241 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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