UCSF

ZINC66635163

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2011 20 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) 1.62 8.82 -85.58 2 4 2 29 283.46 4
Hi High (pH 8-9.5) 1.62 6.85 -42.62 1 4 1 28 282.452 4

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

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