UCSF

ZINC01679675

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 8 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) 1.05 2.99 -3.68 2 3 0 52 221.001 0

Vendor Notes

Note Type Comments Provided By
MP 206 - 210 Enamine Building Blocks
MP 207 - 209 Enamine Building Blocks
MP 207...209 Enamine Building Blocks
Melting_Point 217-220? Alfa-Aesar
Melting_Point 217-220° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem

Activity (Go SEA)

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

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