UCSF

ZINC07610250

Substance Information

In ZINC since Heavy atoms Benign functionality
June 7th, 2006 19 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) 4.05 3.2 -8.93 0 5 0 72 277.663 4

Vendor Notes

Note Type Comments Provided By
melting_point 1.150000000000000e+002 - 1.160000000000000e+002 KeyOrganics
melting_point 115 - 116 KeyOrganics
MP 115-116° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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