UCSF

ZINC40448292

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 16 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) 3.08 5.47 -4.21 2 3 0 48 279.137 3
Lo Low (pH 4.5-6) 3.08 5.95 -30.82 3 3 1 49 280.145 3

Vendor Notes

Note Type Comments Provided By
Melting_Point 92-94? Alfa-Aesar
Purity 95% Fluorochem

Activity (Go SEA)

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

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