UCSF

ZINC39093539

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 15 Yes

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) 2.01 3.88 -5.84 1 4 0 51 211.261 4

Vendor Notes

Note Type Comments Provided By
Boiling_Point 117-119°C, 1.5 mm Hg Squarix
Melting_Point n.d. Squarix

Activity (Go SEA)

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

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