UCSF

ZINC56747578

Substance Information

In ZINC since Heavy atoms Benign functionality
January 8th, 2011 23 Yes

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) 2.71 8.65 -42.02 3 6 1 69 317.413 8
Mid Mid (pH 6-8) 2.71 8.14 -14.31 2 6 0 68 316.405 8

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

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