UCSF

ZINC80053362

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2012 27 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) 2.14 2.51 -9.2 3 9 0 118 377.445 3

Vendor Notes

Note Type Comments Provided By
Melting_Point 221-222? Alfa-Aesar
Melting_Point 221-222° Alfa-Aesar

Activity (Go SEA)

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

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