UCSF

ZINC02383961

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 10 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) 2.63 4.88 -5.98 0 1 0 17 203.01 1

Vendor Notes

Note Type Comments Provided By
MP 53-55° Oakwood Chemical
Melting_Point 54-60? Alfa-Aesar
MP 56-58° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95+% Matrix Scientific
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific
Warnings Irritant-Harmful/Stored under Argon/Light Sensitive Matrix Scientific

Activity (Go SEA)

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

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