UCSF

ZINC04813128

Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 2006 19 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) 3.39 5.16 -48.55 0 4 -1 62 248.265 2
Mid Mid (pH 6-8) 2.93 6.21 -14.28 1 4 0 59 249.273 2

Vendor Notes

Note Type Comments Provided By
melting_point 2.640000000000000e+002 - 2.660000000000000e+002 KeyOrganics
melting_point 264 - 266 KeyOrganics
MP 264-266° 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.