UCSF

ZINC80053783

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2012 12 Yes

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) 0.62 -0.54 -56.14 3 4 1 55 171.22 1

Vendor Notes

Note Type Comments Provided By
Boiling_Point 268? Alfa-Aesar
Boiling_Point 268° Alfa-Aesar

Activity (Go SEA)

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

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