UCSF

ZINC20255478

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 9 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) -0.49 -2.31 -11.14 2 4 0 63 150.203 1
Hi High (pH 8-9.5) -0.49 -1.64 -41.75 1 4 -1 61 149.195 1

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
MP 96 - 98 Enamine Building Blocks
MP 96...98 Enamine Building Blocks
MP 97 - 99 Enamine Building Blocks

Activity (Go SEA)

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