UCSF

ZINC40772321

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 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) 0.74 5.65 -40.57 2 5 1 54 282.408 5
Lo Low (pH 4.5-6) 0.74 6.9 -129.1 3 5 2 58 283.416 5

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

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