UCSF

ZINC36532845

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2009 10 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) 1.95 2.82 -8.3 2 2 0 43 200.035 1

Vendor Notes

Note Type Comments Provided By
BP 290° Matrix Scientific
Melting_Point 75-77? Alfa-Aesar
MP 75-77° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Rings

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