UCSF

ZINC12358791

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 29 No

Download: MOL2 SDF SMILES Flexibase

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) 2.23 -0.24 -54.17 1 5 1 49 394.491 2

Vendor Notes

Note Type Comments Provided By
Melting_Point 176-178? Alfa-Aesar
Melting_Point 176-178° Alfa-Aesar

Activity (Go SEA)

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

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