UCSF

ZINC54741956

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2010 20 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) 2.72 5.56 -34.67 2 4 1 44 343.241 2
Hi High (pH 8-9.5) 2.72 4.82 -4 1 4 0 40 342.233 2

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

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