UCSF

ZINC58322891

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 24 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) 2.13 2.92 -23.82 3 7 0 107 387.248 2
Hi High (pH 8-9.5) 2.20 1.26 -41.27 2 7 -1 113 386.24 2

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

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