UCSF

ZINC12358880

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 15 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) 0.61 -1.66 -10.69 3 7 0 109 215.161 4

Vendor Notes

Note Type Comments Provided By
Melting_Point 209-212? Alfa-Aesar
Melting_Point 209-212° Alfa-Aesar
Boiling_Point 268-272? Alfa-Aesar
Boiling_Point 268-272° Alfa-Aesar

Activity (Go SEA)

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

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