UCSF

ZINC43767191

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2010 31 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) 2.20 7.59 -48.74 2 8 1 89 452.645 11
Lo Low (pH 4.5-6) 2.20 7.89 -88.21 3 8 2 90 453.653 11

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

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