UCSF

ZINC02598988

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2004 8 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) 1.83 3.17 -6.21 0 1 0 13 131.537 0

Vendor Notes

Note Type Comments Provided By
Boiling_Point 162? Alfa-Aesar
Boiling_Point 162° Alfa-Aesar
bp 68 - 70 (p=32 torr) MolMall (formerly Molecular Diversity Preservation International)
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% )

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