UCSF

ZINC71490290

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 10 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) 0.38 1.1 -39.37 2 3 1 35 144.194 0
Hi High (pH 8-9.5) 0.38 -0.35 -3.79 1 3 0 30 143.186 0

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

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