UCSF

ZINC09998612

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2007 17 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) 3.68 9.14 -47.08 0 2 -1 40 225.267 4

Vendor Notes

Note Type Comments Provided By
Melting_Point 149-152? Alfa-Aesar
MP 149-152° Matrix Scientific
MP 152-154° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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