UCSF

ZINC13275886

Substance Information

In ZINC since Heavy atoms Benign functionality
June 13th, 2008 29 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 2.91 9.93 -134.49 0 7 -2 110 391.379 6
Mid Mid (pH 6-8) 2.91 7.61 -89.03 1 7 -1 107 392.387 5
Mid Mid (pH 6-8) 2.33 8.93 -82.36 0 7 -1 104 392.387 6

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

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