UCSF

ZINC14007736

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 21 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) 2.64 7.77 -5.37 0 4 0 32 302.809 3

Vendor Notes

Note Type Comments Provided By
melting_point 9.400000000000000e+001 - 9.600000000000000e+001 KeyOrganics
melting_point 94 - 96 KeyOrganics
MP 94-96° 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.