UCSF

ZINC67425112

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2011 20 Yes

Other Names:

MFCD19982712

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) 1.43 4.5 -35.43 2 5 1 46 284.424 2
Lo Low (pH 4.5-6) 1.43 5.99 -120.18 3 5 2 51 285.432 2

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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

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