UCSF

ZINC40566706

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 23 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) 2.40 9.18 -112.44 4 3 2 41 312.457 6
Mid Mid (pH 6-8) 2.40 8.85 -42.32 3 3 1 44 311.449 6

Vendor Notes

Note Type Comments Provided By
melting_point 1.320000000000000e+002 - 1.400000000000000e+002 KeyOrganics
melting_point 132 - 140 KeyOrganics
MP 132-140° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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