UCSF

ZINC02511806

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 17 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) 3.15 5.21 -8.38 1 3 0 42 254.399 5

Vendor Notes

Note Type Comments Provided By
melting_point 6.500000000000000e+001 - 6.700000000000000e+001 KeyOrganics
melting_point 65 - 67 KeyOrganics
MP 65-67° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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