UCSF

ZINC01387653

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 12 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) 2.31 0.95 -8.3 1 2 0 29 161.204 2

Vendor Notes

Note Type Comments Provided By
MP 83 TCI
melting_point 90 - 92 KeyOrganics
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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