UCSF

ZINC19738639

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 19 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) 0.89 3.47 -15.22 1 5 0 72 250.261 2
Hi High (pH 8-9.5) 1.35 2.6 -46.11 0 5 -1 75 249.253 2
Lo Low (pH 4.5-6) 0.89 3.91 -58.8 2 5 1 73 251.269 2
Lo Low (pH 4.5-6) 0.89 3.91 -51.68 2 5 1 73 251.269 2

Vendor Notes

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

Activity (Go SEA)

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