UCSF

ZINC00968704

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 14 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) 4.38 7.49 -3.3 1 1 0 12 183.254 2

Vendor Notes

Note Type Comments Provided By
BP 317 TCI
Boiling_Point 334? Alfa-Aesar
Boiling_Point 334° Alfa-Aesar
Melting_Point 85-86? Alfa-Aesar
Melting_Point 85-86° Alfa-Aesar
MP 90 TCI
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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