UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[(3R)-1,1-dioxothian-3-yl]-2,5-dimethyl-pyrrole-3-carboxylic 1-[(3R)-1,1-dioxothian-3-yl]-2,5…

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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) 0.65 4.71 -66.09 0 5 -1 79 270.33 2 ↓

Analogs

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Popular Name: 1-[(3S)-1,1-dioxothian-3-yl]-2,5-dimethyl-pyrrole-3-carboxylic 1-[(3S)-1,1-dioxothian-3-yl]-2,5…

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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) 0.65 4.72 -64.29 0 5 -1 79 270.33 2 ↓

Analogs

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Popular Name: 1-[(3R)-1,1-dioxothian-3-yl]-2,5-dimethyl-pyrrole-3-carbaldehyde 1-[(3R)-1,1-dioxothian-3-yl]-2,5…

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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) 0.87 3.91 -18.9 0 4 0 56 255.339 2 ↓

Analogs

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Popular Name: 1-[(3S)-1,1-dioxothian-3-yl]-2,5-dimethyl-pyrrole-3-carbaldehyde 1-[(3S)-1,1-dioxothian-3-yl]-2,5…

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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) 0.87 3.9 -19.87 0 4 0 56 255.339 2 ↓

Analogs

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Popular Name: (2R)-2-chloro-1-[1-[(3R)-1,1-dioxothian-3-yl]-2,5-dimethyl-pyrrol-3-yl]propan-1-one (2R)-2-chloro-1-[1-[(3R)-1,1-dio…

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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) 1.57 5.78 -15.56 0 4 0 56 317.838 3 ↓

Analogs

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Popular Name: (2R)-2-chloro-1-[1-[(3S)-1,1-dioxothian-3-yl]-2,5-dimethyl-pyrrol-3-yl]propan-1-one (2R)-2-chloro-1-[1-[(3S)-1,1-dio…

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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) 1.57 5.8 -14.83 0 4 0 56 317.838 3 ↓

Analogs

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Popular Name: (2S)-2-chloro-1-[1-[(3R)-1,1-dioxothian-3-yl]-2,5-dimethyl-pyrrol-3-yl]propan-1-one (2S)-2-chloro-1-[1-[(3R)-1,1-dio…

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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) 1.57 6.04 -17.64 0 4 0 56 317.838 3 ↓

Analogs

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Popular Name: (2S)-2-chloro-1-[1-[(3S)-1,1-dioxothian-3-yl]-2,5-dimethyl-pyrrol-3-yl]propan-1-one (2S)-2-chloro-1-[1-[(3S)-1,1-dio…

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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) 1.57 6.06 -16.48 0 4 0 56 317.838 3 ↓

Analogs

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Popular Name: 2-chloro-1-[1-[(3R)-1,1-dioxothian-3-yl]-2,5-dimethyl-pyrrol-3-yl]ethanone 2-chloro-1-[1-[(3R)-1,1-dioxothi…

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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) 1.21 5.38 -17.75 0 4 0 56 303.811 3 ↓

Analogs

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Popular Name: 2-chloro-1-[1-[(3S)-1,1-dioxothian-3-yl]-2,5-dimethyl-pyrrol-3-yl]ethanone 2-chloro-1-[1-[(3S)-1,1-dioxothi…

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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) 1.21 5.4 -16.64 0 4 0 56 303.811 3 ↓

Analogs

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Popular Name: 2-amino-1-[(3R)-1,1-dioxothian-3-yl]-4,5-dimethyl-pyrrole-3-carbonitrile 2-amino-1-[(3R)-1,1-dioxothian-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) 0.60 3.88 -17.54 2 5 0 89 267.354 1 ↓

Analogs

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Popular Name: 2-amino-1-[(3S)-1,1-dioxothian-3-yl]-4,5-dimethyl-pyrrole-3-carbonitrile 2-amino-1-[(3S)-1,1-dioxothian-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) 0.60 3.88 -17.48 2 5 0 89 267.354 1 ↓

Analogs

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Popular Name: (3R)-3-(2,5-dimethylpyrrol-1-yl)thiane (3R)-3-(2,5-dimethylpyrrol-1-yl)…

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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) 1.15 4.23 -12.88 0 3 0 39 227.329 1 ↓

Analogs

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Popular Name: (3S)-3-(2,5-dimethylpyrrol-1-yl)thiane (3S)-3-(2,5-dimethylpyrrol-1-yl)…

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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) 1.15 4.2 -12.89 0 3 0 39 227.329 1 ↓

Parameters Provided:

ring.id = 288657
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 = 288657 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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