UCSF

ZINC12339519

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2008 15 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) 2.62 1.34 -53.22 0 2 -1 40 207.293 1

Vendor Notes

Note Type Comments Provided By
Melting_Point 107-109? Alfa-Aesar
Melting_Point 107-109° Alfa-Aesar
BP 324° Matrix Scientific
MP 89-90° 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.