UCSF

ZINC53312495

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 21 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) -0.76 -2.03 -48.3 6 7 1 110 296.347 4
Hi High (pH 8-9.5) -0.76 -2.42 -10.4 5 7 0 108 295.339 4

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

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