UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (5Z)-5-[[(E)-but-1-enyl]-methyl-BLAHylidene]-4-methoxy-3-methyl-furan-2-one (5Z)-5-[[(E)-but-1-enyl]-methyl-…

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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) 3.76 7.81 -15.94 0 6 0 61 385.46 3 ↓

Analogs

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Popular Name: (1-hydroxy-1-methyl-ethyl)-methyl-[(2R)-2-methylbutanoyl]-bis(3-methylbut-2-enyl)-(4-methylpent-3-en (1-hydroxy-1-methyl-ethyl)-methy…

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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) 7.95 16.19 -7.86 1 5 0 81 566.823 11 ↓

Analogs

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Popular Name: (1-hydroxy-1-methyl-ethyl)-methyl-[(2S)-2-methylbutanoyl]-bis(3-methylbut-2-enyl)-(4-methylpent-3-en (1-hydroxy-1-methyl-ethyl)-methy…

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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) 7.95 16.03 -9.61 1 5 0 81 566.823 11 ↓

Analogs

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Popular Name: 5-(Dihydrofuran-2(3H)-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione 5-(Dihydrofuran-2(3H)-ylidene)-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) 1.84 4.99 -11.06 0 5 0 62 212.201 0 ↓

Analogs

39349533
39349533

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Popular Name: (5E)-5-[(3aS,4S,5R,6aS)-6,6-difluoro-5-hydroxy-4-[(3S)-3-hydroxyoct-1-ynyl]-3a,4,5,6a-tetrahydro-3H- (5E)-5-[(3aS,4S,5R,6aS)-6,6-difl…

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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) 4.76 6.93 -52.71 2 5 -1 90 385.427 8 ↓

Analogs

39349533
39349533

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Popular Name: (5E)-5-[(3aS,4R,5R,6aS)-6,6-difluoro-5-hydroxy-4-[(3S)-3-hydroxyoct-1-ynyl]-3a,4,5,6a-tetrahydro-3H- (5E)-5-[(3aS,4R,5R,6aS)-6,6-difl…

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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) 4.76 7.17 -49.3 2 5 -1 90 385.427 8 ↓

Analogs

39349533
39349533

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Popular Name: (5E)-5-[(3aR,4S,5R,6aS)-6,6-difluoro-5-hydroxy-4-[(3S)-3-hydroxyoct-1-ynyl]-3a,4,5,6a-tetrahydro-3H- (5E)-5-[(3aR,4S,5R,6aS)-6,6-difl…

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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) 4.76 7.02 -50.35 2 5 -1 90 385.427 8 ↓

Analogs

39349533
39349533

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Popular Name: (5E)-5-[(3aR,4R,5R,6aS)-6,6-difluoro-5-hydroxy-4-[(3S)-3-hydroxyoct-1-ynyl]-3a,4,5,6a-tetrahydro-3H- (5E)-5-[(3aR,4R,5R,6aS)-6,6-difl…

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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) 4.76 6.72 -49.48 2 5 -1 90 385.427 8 ↓

Analogs

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Popular Name: (2S,5R,6S,6aS)-5-(6-aminopurin-9-yl)-2-[(1R)-2-(2,2-dimethylpropanoyloxymethoxy)-1-hydroxy-2-oxo-eth (2S,5R,6S,6aS)-5-(6-aminopurin-9…

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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) 0.20 4.57 -55.29 4 15 -1 221 492.421 9 ↓

Analogs

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Popular Name: (2S,5R,6S,6aS)-5-(6-aminopurin-9-yl)-2-[(1S)-2-(2,2-dimethylpropanoyloxymethoxy)-1-hydroxy-2-oxo-eth (2S,5R,6S,6aS)-5-(6-aminopurin-9…

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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) 0.20 5 -51.06 4 15 -1 221 492.421 9 ↓

Analogs

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Popular Name: (2R,5R,6S,6aS)-5-(6-aminopurin-9-yl)-2-[(1R)-2-(2,2-dimethylpropanoyloxymethoxy)-1-hydroxy-2-oxo-eth (2R,5R,6S,6aS)-5-(6-aminopurin-9…

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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) 0.20 4.97 -48.92 4 15 -1 221 492.421 9 ↓

Analogs

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Popular Name: (2R,5R,6S,6aS)-5-(6-aminopurin-9-yl)-2-[(1S)-2-(2,2-dimethylpropanoyloxymethoxy)-1-hydroxy-2-oxo-eth (2R,5R,6S,6aS)-5-(6-aminopurin-9…

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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) 0.20 4.74 -51.01 4 15 -1 221 492.421 9 ↓

Parameters Provided:

ring.id = 168906
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 = 168906 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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