UCSF

ZINC41219546

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 13 No

Other Names:

MFCD00276991

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) 1.77 1.6 -35.34 4 4 1 67 201.633 4
Mid Mid (pH 6-8) 1.77 2.61 -19.41 3 4 0 70 200.625 4

Vendor Notes

Note Type Comments Provided By
MP 107-108° Fluorochem
Purity 95% Fluorochem
Purity 97% Fluorochem

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Rings

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

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