UCSF

ZINC72283922

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2012 17 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) 2.13 8.03 -9.26 0 4 0 53 252.257 10

Vendor Notes

Note Type Comments Provided By
Boiling_Point 108?/3mm Alfa-Aesar
Boiling_Point 108°/3mm Alfa-Aesar

Activity (Go SEA)

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

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