UCSF

ZINC01048260

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 13 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) 2.52 0.97 -7.23 2 3 0 60 260.529 1
Hi High (pH 8-9.5) 2.52 1.44 -34.27 1 3 -1 58 259.521 1

Vendor Notes

Note Type Comments Provided By
Melting_Point 187-191? Alfa-Aesar
Melting_Point 187-191° Alfa-Aesar
MP 193-195° Matrix Scientific
Purity 97% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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