UCSF

ZINC80052687

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2012 10 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) -0.13 -1.77 -7.49 2 4 0 58 142.158 3
Mid Mid (pH 6-8) -0.13 -1.79 -6.28 2 4 0 58 142.158 3

Vendor Notes

Note Type Comments Provided By
Boiling_Point 92-94?/0.23mm Alfa-Aesar
Boiling_Point 92-94°/0.23mm Alfa-Aesar

Activity (Go SEA)

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

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