UCSF

ZINC34454552

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 10 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) 2.49 1.66 -6.16 1 2 0 29 203.035 1
Hi High (pH 8-9.5) 2.49 2.42 -42.1 0 2 -1 32 202.027 1

Vendor Notes

Note Type Comments Provided By
MP 75-80° Matrix Scientific
Purity 95% Fluorochem
Purity 97% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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