UCSF

ZINC19367674

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 19 No

CAS Numbers: 21416-67-1 , 24584-09-6

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) -0.71 -2.47 -68.05 3 8 1 100 269.281 3
Hi High (pH 8-9.5) -0.71 -4.72 -16.75 2 8 0 99 268.273 3
Mid Mid (pH 6-8) -0.71 -2.77 -69.8 3 8 1 100 269.281 3
Lo Low (pH 4.5-6) -0.71 -0.49 -163.13 4 8 2 101 270.289 3

Vendor Notes

Note Type Comments Provided By
Purity 95+% Matrix Scientific
Purity 99% APIChem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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