UCSF

ZINC52538494

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 24 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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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) 2.60 8.43 -45.94 1 5 -1 68 377.492 5
Mid Mid (pH 6-8) 3.52 6.9 -115.05 0 5 -2 74 376.484 4
Lo Low (pH 4.5-6) 2.56 9.31 -10.61 2 5 0 67 378.5 5

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

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