UCSF

ZINC32016230

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 10 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) -0.80 -4.09 -37.43 2 5 -1 92 138.106 1
Lo Low (pH 4.5-6) -1.26 -3.26 -11.29 3 5 0 89 139.114 1

Vendor Notes

Note Type Comments Provided By
MP 326 - 328 Enamine Building Blocks
MP 326...328 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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