UCSF

ZINC54741865

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2010 18 Yes

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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) 3.31 8.53 -32.36 2 2 1 26 248.39 4
Hi High (pH 8-9.5) 3.31 8 -1.99 1 2 0 21 247.382 4

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

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