UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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Popular Name: N-[2-[(3S)-1,1-dioxo-2,3-dihydrobenzothiophen-3-yl]ethyl]cyclopropanamine N-[2-[(3S)-1,1-dioxo-2,3-dihydro…

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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) 1.45 4.41 -61.09 2 3 1 51 252.359 4 ↓

Analogs

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Popular Name: N-[2-[(3R)-1,1-dioxo-2,3-dihydrobenzothiophen-3-yl]ethyl]cyclopropanamine N-[2-[(3R)-1,1-dioxo-2,3-dihydro…

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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) 1.45 4.41 -61.05 2 3 1 51 252.359 4 ↓

Analogs

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Popular Name: N-[(2R)-2-[(3S)-1,1-dioxo-2,3-dihydrobenzothiophen-3-yl]-2-methyl-pentyl]cyclopropanamine N-[(2R)-2-[(3S)-1,1-dioxo-2,3-di…

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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) 3.23 6.33 -58.77 2 3 1 51 308.467 6 ↓

Analogs

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Popular Name: N-[(2S)-2-[(3S)-1,1-dioxo-2,3-dihydrobenzothiophen-3-yl]-2-methyl-pentyl]cyclopropanamine N-[(2S)-2-[(3S)-1,1-dioxo-2,3-di…

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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) 3.23 6.3 -57.81 2 3 1 51 308.467 6 ↓

Analogs

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Popular Name: N-[(2R)-2-[(3R)-1,1-dioxo-2,3-dihydrobenzothiophen-3-yl]-2-methyl-pentyl]cyclopropanamine N-[(2R)-2-[(3R)-1,1-dioxo-2,3-di…

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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) 3.23 6.31 -57.9 2 3 1 51 308.467 6 ↓

Analogs

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Popular Name: N-[(2S)-2-[(3R)-1,1-dioxo-2,3-dihydrobenzothiophen-3-yl]-2-methyl-pentyl]cyclopropanamine N-[(2S)-2-[(3R)-1,1-dioxo-2,3-di…

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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) 3.23 6.38 -58.51 2 3 1 51 308.467 6 ↓

Analogs

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Popular Name: N-[2-[(3S)-1,1-dioxo-2,3-dihydrobenzothiophen-3-yl]-2-ethyl-butyl]cyclopropanamine N-[2-[(3S)-1,1-dioxo-2,3-dihydro…

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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) 3.01 6.03 -57.27 2 3 1 51 308.467 6 ↓

Analogs

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Popular Name: N-[2-[(3R)-1,1-dioxo-2,3-dihydrobenzothiophen-3-yl]-2-ethyl-butyl]cyclopropanamine N-[2-[(3R)-1,1-dioxo-2,3-dihydro…

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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) 3.01 6.04 -57.2 2 3 1 51 308.467 6 ↓

Analogs

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Popular Name: N-[(2R)-2-[(3S)-1,1-dioxo-2,3-dihydrobenzothiophen-3-yl]-2-methyl-butyl]cyclopropanamine N-[(2R)-2-[(3S)-1,1-dioxo-2,3-di…

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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 5.6 -57.91 2 3 1 51 294.44 5 ↓

Analogs

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Popular Name: N-[(2S)-2-[(3S)-1,1-dioxo-2,3-dihydrobenzothiophen-3-yl]-2-methyl-butyl]cyclopropanamine N-[(2S)-2-[(3S)-1,1-dioxo-2,3-di…

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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 5.53 -56.82 2 3 1 51 294.44 5 ↓

Analogs

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Popular Name: N-[(2R)-2-[(3R)-1,1-dioxo-2,3-dihydrobenzothiophen-3-yl]-2-methyl-butyl]cyclopropanamine N-[(2R)-2-[(3R)-1,1-dioxo-2,3-di…

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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 5.55 -56.94 2 3 1 51 294.44 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-[(3R)-1,1-dioxo-2,3-dihydrobenzothiophen-3-yl]-2-methyl-butyl]cyclopropanamine N-[(2S)-2-[(3R)-1,1-dioxo-2,3-di…

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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 5.61 -57.51 2 3 1 51 294.44 5 ↓

Parameters Provided:

ring.id = 37993
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 = 37993 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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