UCSF

ZINC12336382

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2008 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) 1.26 1.91 -13.19 1 4 0 59 193.231 1
Mid Mid (pH 6-8) 1.72 1.78 -40.54 0 4 -1 62 192.223 1

Vendor Notes

Note Type Comments Provided By
melting_point 292 - 294 KeyOrganics
MP 292-294° 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.