UCSF

ZINC00058231

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 15 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 3.04 2.53 -6.99 0 2 0 22 239.624 4
Mid Mid (pH 6-8) 3.04 2.59 -37.9 1 2 1 23 240.632 4

Vendor Notes

Note Type Comments Provided By
MP 203-205o C Indofine
Melting_Point 208-212? Alfa-Aesar
Melting_Point 208-212° Alfa-Aesar
MP 208-214 °C Indofine
Purity 95% Matrix Scientific
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific
SOLUBILITY Soluble in Acetone Indofine

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.