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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: butyl-imino-dimethyl-BLAHdicarbonitrile butyl-imino-dimethyl-BLAHdicarbo…

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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) 2.28 3.19 -9.11 1 6 0 102 286.335 3 ↓

Analogs

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Popular Name: [(2S,3S,4R,5R,6Z)-5-acetamido-3,4-diacetoxy-6-hydroxyimino-tetrahydropyran-2-yl]methyl [(2S,3S,4R,5R,6Z)-5-acetamido-3,…

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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) -0.92 1.57 -22.21 2 11 0 150 360.319 8 ↓

Analogs

22046814
22046814
22046818
22046818
22046823
22046823

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Popular Name: 2-Acetamido-3,4,6-tri-O-acetyl-2-deoxy-D-glucohydroximo-1,5-lactone 2-Acetamido-3,4,6-tri-O-acetyl-2…

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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) -0.92 1.9 -19.81 2 11 0 150 360.319 8 ↓

Analogs

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Popular Name: N-[(2S,4aR,6Z,7S,8S,8aS)-8-hydroxy-6-hydroxyimino-2-phenyl-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3 N-[(2S,4aR,6Z,7S,8S,8aS)-8-hydro…

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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) -0.37 -3.46 -13.45 3 8 0 110 322.317 2 ↓

Analogs

26162620
26162620
26162628
26162628

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Popular Name: (3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-one (3S,4S,5R,6R)-3,4,5-trihydroxy-6…

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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) -2.38 -10.51 -12.52 5 7 0 123 193.155 1 ↓

Analogs

26162620
26162620
26162628
26162628

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Popular Name: (3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-one (3S,4S,5R,6S)-3,4,5-trihydroxy-6…

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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) -2.38 -11.36 -14.98 5 7 0 123 193.155 1 ↓

Analogs

22046559
22046559
22046568
22046568

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Popular Name: O-(2-Acetamido-2-deoxy-D-glucopyranosylidene)amino N-phenyl carbamate O-(2-Acetamido-2-deoxy-D-glucopy…

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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) -1.19 -5.7 -22.16 5 10 0 150 353.331 5 ↓

Parameters Provided:

ring.id = 3208
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 3208 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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