UCSF

ZINC00159317

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 9 No

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) 1.03 5.11 -43.14 1 2 1 28 125.195 1

Vendor Notes

Note Type Comments Provided By
MP 18-19° Fluorochem
BP 204-208° Fluorochem
Boiling_Point 210? Alfa-Aesar
Boiling_Point 210° Alfa-Aesar
Melting_Point ca 25? Alfa-Aesar
Melting_Point ca 25° Alfa-Aesar

Activity (Go SEA)

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

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