UCSF

ZINC02575153

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 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) 2.19 3.01 -2.38 2 1 0 26 145.564 0

Vendor Notes

Note Type Comments Provided By
Boiling_Point 211? Alfa-Aesar
Boiling_Point 211° Alfa-Aesar
MP 26° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Matrix Scientific
Melting_Point ca 26? Alfa-Aesar
MP ca 26° Matrix Scientific
Warnings TOXIC Matrix Scientific

Activity (Go SEA)

Rings

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

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