UCSF

ZINC19230049

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2008 19 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) 0.60 3.69 -41.78 3 4 1 51 262.377 4
Mid Mid (pH 6-8) 0.60 5.58 -44.64 3 4 1 51 262.377 4
Mid Mid (pH 6-8) 0.60 3.37 -6.64 2 4 0 50 261.369 4

Vendor Notes

Note Type Comments Provided By
MP 102 - 104 Enamine Building Blocks
MP 102...104 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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