UCSF

ZINC02574951

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 11 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) 3.28 6.59 -3.54 0 0 0 0 221.044 1

Vendor Notes

Note Type Comments Provided By
Boiling_Point 76?/3mm Alfa-Aesar
BP 76°/3 Torr Matrix Scientific
Boiling_Point 76°/3mm Alfa-Aesar
Warnings CORROSIVE Matrix Scientific

Activity (Go SEA)

Rings

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

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