UCSF

ZINC61469739

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2011 21 No

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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) 2.26 6.17 -13.3 1 4 0 42 332.535 9
Mid Mid (pH 6-8) 2.26 8.46 -48.43 2 4 1 43 333.543 9

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

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