UCSF

ZINC59110810

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2011 44 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) 6.11 14.96 -18.69 1 10 0 108 604.748 9
Hi High (pH 8-9.5) 5.74 12.42 -60.14 0 10 -1 115 603.74 9

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

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