UCSF

ZINC60118689

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2011 33 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) 8.00 17.28 -22.25 0 7 0 82 469.663 21
Hi High (pH 8-9.5) 6.75 16.61 -47.61 0 7 -1 88 468.655 20

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

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