UCSF

ZINC12535977

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 34 No

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Annotations

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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) 3.78 6.53 -18.68 3 9 0 125 484.578 6
Hi High (pH 8-9.5) 3.78 6.61 -50.72 2 9 -1 127 483.57 6

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

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