UCSF

ZINC48981157

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2010 12 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) -0.09 1.51 -9.86 1 3 0 42 162.192 1
Lo Low (pH 4.5-6) -0.09 1.98 -42.44 2 3 1 43 163.2 1

Vendor Notes

Note Type Comments Provided By
MP 69 - 71 Enamine Building Blocks
MP 69...71 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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