UCSF

ZINC66448168

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2011 26 No

Download: MOL2 SDF SMILES Flexibase

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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) 1.36 8.14 -20.02 1 7 0 66 392.554 5
Mid Mid (pH 6-8) 1.36 10.46 -42.93 2 7 1 67 393.562 5

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

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