UCSF

ZINC19432241

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 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) -0.01 -0.78 -44.79 4 4 1 66 187.263 3
Hi High (pH 8-9.5) -0.01 -2.25 -12 3 4 0 61 186.255 3

Vendor Notes

Note Type Comments Provided By
MP 245 - 247 Enamine Building Blocks
MP 245...247 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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