UCSF

ZINC04437089

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2005 14 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) 2.90 2.25 -8.81 0 2 0 26 190.242 2

Vendor Notes

Note Type Comments Provided By
BP 219-220°/38 Torr Matrix Scientific
MP 51-53° Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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