UCSF

ZINC12506368

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 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) 1.93 2.87 -4.98 1 2 0 29 166.22 3

Vendor Notes

Note Type Comments Provided By
Melting_Point 46-47? Alfa-Aesar
Melting_Point 46-47° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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