UCSF

ZINC01579886

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 15 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 2.15 0.19 -51.18 1 5 -1 78 216.257 6
Hi High (pH 8-9.5) 2.87 6.45 -14.19 2 7 0 94 334.372 8

Vendor Notes

Note Type Comments Provided By
MP 103 - 105 Enamine Building Blocks
MP 103...105 Enamine Building Blocks
MP 104 - 106 Enamine Building Blocks
MP 43-47 °C Indofine
Melting_Point 43-47? Alfa-Aesar
Melting_Point 43-47° Alfa-Aesar
MP 46.5° Oakwood Chemical
Melting_Point 69-71? Alfa-Aesar
Melting_Point 69-71° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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