UCSF

ZINC49520200

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2010 20 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) -0.56 3.89 -48.35 3 6 0 98 271.276 3
Hi High (pH 8-9.5) -0.49 2.82 -86.8 2 6 -1 104 270.268 3

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

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