UCSF

ZINC02382265

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 9 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) 2.46 -0.19 -5.87 1 1 0 20 146.548 0

Vendor Notes

Note Type Comments Provided By
Boiling_Point 190? Alfa-Aesar
Boiling_Point 190° Alfa-Aesar
Melting_Point 34-38? Alfa-Aesar
Melting_Point 34-38° Alfa-Aesar
MP 38 - 40 Enamine Building Blocks
MP 38...40 Enamine Building Blocks
MP 38° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
BP 96°/31 Torr Matrix Scientific
Purity 97% Matrix Scientific
Warnings IRRITANT, IRRITANT-HARMFUL Matrix Scientific
Warnings Irritant/Irritant-Harmful Matrix Scientific

Activity (Go SEA)

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

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