UCSF

ZINC52818669

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 26 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) 2.02 2.31 -24.43 3 8 0 116 375.406 4
Hi High (pH 8-9.5) 2.02 3.32 -64.09 2 8 -1 119 374.398 4

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

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