UCSF

ZINC41644093

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 28 Yes

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) 3.92 9.35 -12.66 1 6 0 81 374.396 4
Mid Mid (pH 6-8) 3.92 9.73 -35.99 2 6 1 83 375.404 4
Lo Low (pH 4.5-6) 4.09 9.79 -34.6 2 6 1 86 375.404 3

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

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