UCSF

ZINC55066838

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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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) 0.09 4 -87.72 3 5 2 45 270.421 4
Hi High (pH 8-9.5) 0.09 0.78 -7.36 1 5 0 39 268.405 4
Mid Mid (pH 6-8) 0.09 2.72 -34.5 2 5 1 40 269.413 4

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

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