UCSF

ZINC40767879

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 29 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) 1.57 3.7 -13.93 2 8 0 89 396.447 6
Lo Low (pH 4.5-6) 1.57 5.96 -50.99 3 8 1 90 397.455 6

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

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