UCSF

ZINC67428287

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2011 17 No

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Annotations

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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) 2.96 3.22 -7.45 0 3 0 38 282.415 4
Lo Low (pH 4.5-6) 2.96 4.22 -33.89 1 3 1 40 283.423 4

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

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