UCSF

ZINC02512335

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 10 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) 2.23 4.05 -5.96 0 1 0 9 144.12 1

Vendor Notes

Note Type Comments Provided By
BP 50 / 25 TCI
BP 62°/40 Torr Matrix Scientific
Boiling_Point 70-72?/56mm Alfa-Aesar
Boiling_Point 70-72°/56mm Alfa-Aesar
Purity 98% Matrix Scientific
Warnings Flammable Matrix Scientific
Warnings IRRITANT, FLAMMABLE Matrix Scientific

Activity (Go SEA)

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

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