UCSF

ZINC23042739

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 19 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) 1.18 3.48 -12.77 1 8 0 108 282.643 3
Hi High (pH 8-9.5) 1.36 1.68 -38.63 0 8 -1 114 281.635 3

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

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