UCSF

ZINC69092285

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 25 No

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Annotations

None

Vendors

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) 1.92 6.97 -45.65 3 7 1 83 347.439 8
Hi High (pH 8-9.5) 1.92 4.7 -16.38 2 7 0 82 346.431 8
Hi High (pH 8-9.5) 2.10 5.89 -41.24 2 7 0 89 346.431 8
Hi High (pH 8-9.5) 2.10 3.56 -55.4 1 7 -1 88 345.423 8

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

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