UCSF

ZINC37180737

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 12 Yes

Other Names:

MFCD17014356

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) 0.65 2.28 -40.9 3 2 1 31 169.292 2
Lo Low (pH 4.5-6) 0.65 4.52 -103.86 4 2 2 32 170.3 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.