UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (1S)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3-thienyl)ethanamine (1S)-1-(5,6-dihydro-4H-cyclopent…

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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) 1.38 7.08 -40.63 3 1 1 28 250.412 3 ↓
Hi High (pH 8-9.5) 1.38 6.78 -3.44 2 1 0 26 249.404 3 ↓

Analogs

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Popular Name: (1R)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3-thienyl)ethanamine (1R)-1-(5,6-dihydro-4H-cyclopent…

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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) 1.38 7.11 -40.98 3 1 1 28 250.412 3 ↓
Hi High (pH 8-9.5) 1.38 6.79 -3.8 2 1 0 26 249.404 3 ↓

Analogs

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Popular Name: (1S)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methyl-2-(3-thienyl)ethanamine (1S)-1-(5,6-dihydro-4H-cyclopent…

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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) 3.63 8.63 -41.08 2 1 1 17 264.439 4 ↓
Hi High (pH 8-9.5) 3.63 7.59 -3.6 1 1 0 12 263.431 4 ↓

Analogs

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Popular Name: (1R)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methyl-2-(3-thienyl)ethanamine (1R)-1-(5,6-dihydro-4H-cyclopent…

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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) 3.63 8.84 -35.32 2 1 1 17 264.439 4 ↓
Hi High (pH 8-9.5) 3.63 7.76 -3.15 1 1 0 12 263.431 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethyl-2-(3-thienyl)ethanamine (1S)-1-(5,6-dihydro-4H-cyclopent…

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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) 4.00 9.49 -39.46 2 1 1 17 278.466 5 ↓
Hi High (pH 8-9.5) 4.00 8.54 -3.48 1 1 0 12 277.458 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethyl-2-(3-thienyl)ethanamine (1R)-1-(5,6-dihydro-4H-cyclopent…

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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) 4.00 9.69 -33.61 2 1 1 17 278.466 5 ↓
Hi High (pH 8-9.5) 4.00 8.69 -2.96 1 1 0 12 277.458 5 ↓

Analogs

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Popular Name: N-[(1S)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3-thienyl)ethyl]propan-1-amine N-[(1S)-1-(5,6-dihydro-4H-cyclop…

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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) 4.51 10.23 -40.1 2 1 1 17 292.493 6 ↓
Hi High (pH 8-9.5) 4.51 9.3 -3.4 1 1 0 12 291.485 6 ↓

Analogs

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Popular Name: N-[(1R)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3-thienyl)ethyl]propan-1-amine N-[(1R)-1-(5,6-dihydro-4H-cyclop…

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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) 4.51 10.45 -34.15 2 1 1 17 292.493 6 ↓
Hi High (pH 8-9.5) 4.51 9.44 -2.89 1 1 0 12 291.485 6 ↓

Parameters Provided:

ring.id = 588155
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 = 588155 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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