UCSF

ZINC52916637

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2010 16 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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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) 3.39 8.99 -36.37 1 1 1 4 226.29 2
Hi High (pH 8-9.5) 3.39 6.92 -5.63 0 1 0 3 225.282 2

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

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