UCSF

ZINC57363451

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2011 14 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) 2.40 6.16 -26.26 3 2 1 30 191.298 1
Hi High (pH 8-9.5) 2.40 6.22 -2.34 2 2 0 29 190.29 1

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific
Warnings Irritant/Refrigerate Matrix Scientific

Activity (Go SEA)

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