UCSF

ZINC72283179

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2012 10 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.42 3.89 -3.94 2 1 0 26 204.042 1

Vendor Notes

Note Type Comments Provided By
Boiling_Point 109-110?/10mm Alfa-Aesar
Boiling_Point 109-110°/10mm Alfa-Aesar
Melting_Point 26-33? Alfa-Aesar
Melting_Point 26-33° Alfa-Aesar

Activity (Go SEA)

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

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