UCSF

ZINC02169728

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 13 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) 2.46 0.78 -5.19 2 3 0 52 179.219 3

Vendor Notes

Note Type Comments Provided By
BP 270-272° Matrix Scientific
MP 64-65° Matrix Scientific
Purity 99% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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