UCSF

ZINC01494962

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 13 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) 0.35 -0.85 -55.69 4 4 1 74 201.271 3
Hi High (pH 8-9.5) 0.35 -0.78 -67.91 3 4 0 76 200.263 3

Vendor Notes

Note Type Comments Provided By
Purity 98% Matrix Scientific
MP >275° (dec.) Fluorochem
MP >275°(dec) Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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