UCSF

ZINC41510396

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 26 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) 3.20 6.79 -47.94 2 6 1 73 354.382 3
Mid Mid (pH 6-8) 3.20 7.55 -33.75 1 6 0 76 353.374 3

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

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