UCSF

ZINC02579272

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 12 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) 2.99 -1.12 -42.71 3 1 1 27 164.272 4

Vendor Notes

Note Type Comments Provided By
BP 134°/10mm Matrix Scientific
Boiling_Point 89-91?/1mm Alfa-Aesar
Boiling_Point 89-91°/1mm Alfa-Aesar
Warnings CORROSIVE Matrix Scientific

Activity (Go SEA)

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

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