UCSF

ZINC84847304

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2013 13 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) -2.32 -3.98 -48.46 3 5 -1 103 202.211 2

Vendor Notes

Note Type Comments Provided By
Melting_Point 305? Alfa-Aesar
Melting_Point 305° Alfa-Aesar

Activity (Go SEA)

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

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