UCSF

ZINC13140389

Substance Information

In ZINC since Heavy atoms Benign functionality
May 30th, 2008 14 No

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) 1.89 3.97 -35.82 0 5 -1 82 189.15 1
Mid Mid (pH 6-8) 1.89 3.19 -14.11 1 5 0 79 190.158 1

Vendor Notes

Note Type Comments Provided By
Melting_Point 177-182? Alfa-Aesar
Melting_Point 177-182° Alfa-Aesar
MP 246 - 248 Enamine Building Blocks
MP 246...248 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.