UCSF

ZINC12359027

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 18 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) 1.08 4.99 -15.31 0 6 0 79 252.222 6

Vendor Notes

Note Type Comments Provided By
Boiling_Point 193-195?/12mm Alfa-Aesar
Boiling_Point 193-195°/12mm Alfa-Aesar
Melting_Point 38-40? Alfa-Aesar
Melting_Point 38-40° Alfa-Aesar

Activity (Go SEA)

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

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