UCSF

ZINC44713178

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 11 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) 2.60 3.83 -5.83 1 2 0 29 231.48 0
Lo Low (pH 4.5-6) 2.60 4.25 -29.88 2 2 1 30 232.488 0

Vendor Notes

Note Type Comments Provided By
MP 284-290° Matrix Scientific
Purity >97% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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