UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[1-[(3S)-1,1-dioxothiolan-3-yl]cyclopentyl]-N-methyl-methanamine 1-[1-[(3S)-1,1-dioxothiolan-3-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) 1.48 3.08 -55.62 2 3 1 51 232.369 3 ↓

Analogs

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Popular Name: 1-[1-[(3R)-1,1-dioxothiolan-3-yl]cyclopentyl]-N-methyl-methanamine 1-[1-[(3R)-1,1-dioxothiolan-3-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) 1.48 3.12 -54.89 2 3 1 51 232.369 3 ↓

Analogs

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Popular Name: N-[[1-[(3S)-1,1-dioxothiolan-3-yl]cyclopentyl]methyl]ethanamine N-[[1-[(3S)-1,1-dioxothiolan-3-y…

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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) 1.51 3.94 -54.92 2 3 1 51 246.396 4 ↓

Analogs

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Popular Name: N-[[1-[(3R)-1,1-dioxothiolan-3-yl]cyclopentyl]methyl]ethanamine N-[[1-[(3R)-1,1-dioxothiolan-3-y…

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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) 1.51 3.72 -54.8 2 3 1 51 246.396 4 ↓

Analogs

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Popular Name: N-[[1-[(3S)-1,1-dioxothiolan-3-yl]cyclopentyl]methyl]propan-1-amine N-[[1-[(3S)-1,1-dioxothiolan-3-y…

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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) 2.01 4.69 -55.91 2 3 1 51 260.423 5 ↓

Analogs

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Popular Name: N-[[1-[(3R)-1,1-dioxothiolan-3-yl]cyclopentyl]methyl]propan-1-amine N-[[1-[(3R)-1,1-dioxothiolan-3-y…

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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) 2.01 4.73 -54.95 2 3 1 51 260.423 5 ↓

Analogs

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Popular Name: N-[[1-[(3S)-1,1-dioxothiolan-3-yl]cyclopentyl]methyl]propan-2-amine N-[[1-[(3S)-1,1-dioxothiolan-3-y…

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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) 2.16 4.45 -53.37 2 3 1 51 260.423 4 ↓

Analogs

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Popular Name: N-[[1-[(3R)-1,1-dioxothiolan-3-yl]cyclopentyl]methyl]propan-2-amine N-[[1-[(3R)-1,1-dioxothiolan-3-y…

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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) 2.16 4.18 -54.05 2 3 1 51 260.423 4 ↓

Analogs

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Popular Name: N-[[1-[(3S)-1,1-dioxothiolan-3-yl]cyclopentyl]methyl]-2-methyl-propan-2-amine N-[[1-[(3S)-1,1-dioxothiolan-3-y…

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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) 2.67 4.61 -51.19 2 3 1 51 274.45 4 ↓

Analogs

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Popular Name: N-[[1-[(3R)-1,1-dioxothiolan-3-yl]cyclopentyl]methyl]-2-methyl-propan-2-amine N-[[1-[(3R)-1,1-dioxothiolan-3-y…

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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) 2.67 4.59 -52.36 2 3 1 51 274.45 4 ↓

Analogs

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Popular Name: N-[[1-[(3S)-1,1-dioxothiolan-3-yl]cyclopentyl]methyl]-2-methyl-propan-1-amine N-[[1-[(3S)-1,1-dioxothiolan-3-y…

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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) 2.25 5.4 -55.8 2 3 1 51 274.45 5 ↓

Analogs

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Popular Name: N-[[1-[(3R)-1,1-dioxothiolan-3-yl]cyclopentyl]methyl]-2-methyl-propan-1-amine N-[[1-[(3R)-1,1-dioxothiolan-3-y…

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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) 2.25 5.41 -56.07 2 3 1 51 274.45 5 ↓

Analogs

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Popular Name: N-[[1-[(3S)-1,1-dioxothiolan-3-yl]cyclopentyl]methyl]-2-methoxy-ethanamine N-[[1-[(3S)-1,1-dioxothiolan-3-y…

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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) 1.12 3.07 -55.33 2 4 1 60 276.422 6 ↓

Analogs

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Popular Name: N-[[1-[(3R)-1,1-dioxothiolan-3-yl]cyclopentyl]methyl]-2-methoxy-ethanamine N-[[1-[(3R)-1,1-dioxothiolan-3-y…

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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) 1.12 3.11 -54.25 2 4 1 60 276.422 6 ↓

Analogs

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Popular Name: (3R)-3-cyclopentyl-1,1-dioxo-thiolan-3-ol (3R)-3-cyclopentyl-1,1-dioxo-thi…

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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) 1.05 -0.17 -11.02 1 3 0 54 204.291 1 ↓

Analogs

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Popular Name: (3S)-3-cyclopentyl-1,1-dioxo-thiolan-3-ol (3S)-3-cyclopentyl-1,1-dioxo-thi…

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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) 1.05 0.36 -11.42 1 3 0 54 204.291 1 ↓

Parameters Provided:

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filter.purchasability = annotated
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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 = 132778 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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