UCSF

ZINC02527972

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 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) 2.25 0.27 -4.12 1 1 0 20 154.184 1

Vendor Notes

Note Type Comments Provided By
MP 37.8° Oakwood Chemical
MP 38° Matrix Scientific
BP 61 / 1 TCI
BP 86°/8.2 Torr Matrix Scientific
BP 86°/8.2mm Oakwood Chemical
Purity 95% Fluorochem
Purity 97% Matrix Scientific
Warnings Irritant Matrix Scientific

Activity (Go SEA)

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