UCSF

ZINC69482253

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 27 No

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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) 1.41 -0.3 -13.2 4 9 0 135 378.333 4
Hi High (pH 8-9.5) 1.41 0.76 -57.25 3 9 -1 138 377.325 4

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

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