UCSF

ZINC83309727

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2013 27 No

Other Names:

MFCD02146443

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) 3.45 7.48 -11.73 1 6 0 71 403.891 4
Lo Low (pH 4.5-6) -0.21 8.44 -38.03 2 6 1 70 404.899 5

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

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