UCSF

ZINC42477507

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 20 No

Download: MOL2 SDF SMILES Flexibase

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) -0.02 0.46 -73.29 4 5 1 94 317.456 5
Hi High (pH 8-9.5) -0.02 -0.74 -20.28 3 5 0 89 316.448 5

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

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