UCSF

ZINC36533668

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2009 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) 1.71 2.14 -9.45 1 2 0 37 154.14 1
Mid Mid (pH 6-8) 1.71 2.88 -52.06 0 2 -1 40 153.132 1

Vendor Notes

Note Type Comments Provided By
Melting_Point 119-126? Alfa-Aesar
MP 119-126° Oakwood Chemical
Purity 95% Fluorochem
Purity 99% Fluorochem

Activity (Go SEA)

Rings

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