UCSF

ZINC57926719

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2011 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 1.39 3.31 -15.41 2 7 0 103 365.455 4
Hi High (pH 8-9.5) 2.29 1.18 -51.01 1 7 -1 106 364.447 4

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

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