UCSF

ZINC03880971

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 25 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) 6.24 1.42 -6.12 0 2 0 17 436.296 4
Mid Mid (pH 6-8) 2.50 1.71 -25.77 1 2 1 19 437.304 4

Vendor Notes

Note Type Comments Provided By
MP 163 - 165 Enamine Building Blocks
MP 163...165 Enamine Building Blocks
Melting_Point 170-171? Alfa-Aesar
Melting_Point 170-171° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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