UCSF

ZINC66903778

Substance Information

In ZINC since Heavy atoms Benign functionality
September 2nd, 2011 26 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) 3.51 7.81 -46.05 4 4 1 60 393.338 6
Hi High (pH 8-9.5) 3.51 5.56 -9.58 3 4 0 58 392.33 6

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

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