UCSF

ZINC98074329

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2014 16 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) 4.01 10.52 -3.81 0 0 0 0 208.304 3

Vendor Notes

Note Type Comments Provided By
Boiling_Point 220?/0.01mm subl. Alfa-Aesar
Boiling_Point 220°/0.01mm subl. Alfa-Aesar
Melting_Point 427? dec. Alfa-Aesar
Melting_Point 427° dec. Alfa-Aesar

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

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