UCSF

ZINC54681164

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2010 26 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) 4.07 9.97 -19.93 3 6 0 77 386.242 1
Mid Mid (pH 6-8) 4.07 10.48 -42.83 4 6 1 79 387.25 1

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

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