UCSF

ZINC55104341

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 32 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) 3.62 5.37 -106.87 0 8 -2 114 468.56 7
Lo Low (pH 4.5-6) 3.62 6.01 -49.09 2 8 0 113 470.576 7
Lo Low (pH 4.5-6) 3.62 6.14 -72.02 1 8 -1 116 469.568 7
Lo Low (pH 4.5-6) 3.62 5.2 -56.09 1 8 -1 112 469.568 7

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

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