UCSF

ZINC60120097

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2011 44 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) 4.05 18.61 -50.78 1 11 -1 150 594.648 7
Hi High (pH 8-9.5) 4.51 16.15 -112.9 0 11 -2 153 593.64 7

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

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