UCSF

ZINC69847595

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 25 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) -0.37 9.88 -66.18 1 8 1 103 344.443 7
Hi High (pH 8-9.5) -0.37 7.65 -22.66 0 8 0 102 343.435 7
Lo Low (pH 4.5-6) -0.37 10.31 -110.41 2 8 2 104 345.451 7

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

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