UCSF

ZINC61409727

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2011 21 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) -0.62 1.28 -18.17 2 7 0 91 288.307 2
Hi High (pH 8-9.5) -0.44 -1.36 -50.9 1 7 -1 98 287.299 2

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

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