UCSF

ZINC66157318

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 43 No

Download: MOL2 SDF SMILES Flexibase

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) 4.59 9.49 -105.43 7 9 2 114 589.829 20
Hi High (pH 8-9.5) 4.59 8.13 -48.77 6 9 1 109 588.821 20
Lo Low (pH 4.5-6) 4.59 10.82 -229.24 8 9 3 118 590.837 20

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

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