UCSF

ZINC80053634

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2012 19 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) -0.40 -4.81 -7.5 5 6 0 110 278.345 1

Vendor Notes

Note Type Comments Provided By
Melting_Point 178-185? Alfa-Aesar
Melting_Point 178-185° Alfa-Aesar

Activity (Go SEA)

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

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