UCSF

ZINC55120449

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 23 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) 2.25 9.51 -47.54 1 4 1 42 323.363 2
Mid Mid (pH 6-8) 2.25 7.32 -10.48 0 4 0 41 322.355 2

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

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