UCSF

ZINC72283973

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2012 31 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) 2.25 8.85 -52.83 1 7 -1 105 440.497 10

Vendor Notes

Note Type Comments Provided By
Melting_Point 232-234? Alfa-Aesar
Melting_Point 232-234° Alfa-Aesar

Activity (Go SEA)

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

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