UCSF

ZINC03883229

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 18 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) 1.87 2.45 -10.46 3 5 0 81 283.74 4
Lo Low (pH 4.5-6) 1.87 2.19 -38.64 4 5 1 82 284.748 4

Vendor Notes

Note Type Comments Provided By
melting_point 179 - 180 KeyOrganics
MP 179-181° Matrix Scientific
Purity >95% 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.