UCSF

ZINC40345925

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 28 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) 1.46 5.56 -21.68 3 8 0 113 403.822 6
Hi High (pH 8-9.5) 2.76 5.43 -48.86 2 8 -1 117 402.814 6

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

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