UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35497410
35497410

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Popular Name: (1S)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-(2,5-dimethyl-3-thienyl)-N-methyl-methanamine (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) 3.86 9.46 -36.68 2 1 1 17 278.466 3 ↓
Mid Mid (pH 6-8) 3.86 8.64 -4.12 1 1 0 12 277.458 3 ↓

Analogs

35497408
35497408

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Popular Name: (1R)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-(2,5-dimethyl-3-thienyl)-N-methyl-methanamine (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) 3.86 9.82 -37.44 2 1 1 17 278.466 3 ↓
Mid Mid (pH 6-8) 3.86 8.55 -4.44 1 1 0 12 277.458 3 ↓

Analogs

35502051
35502051

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

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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) 5.02 9.21 -36.44 2 1 1 17 319.302 3 ↓
Mid Mid (pH 6-8) 5.02 8.2 -2.66 1 1 0 12 318.294 3 ↓

Analogs

35502050
35502050

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

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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) 5.02 9.46 -37.05 2 1 1 17 319.302 3 ↓
Mid Mid (pH 6-8) 5.02 8.34 -2.16 1 1 0 12 318.294 3 ↓

Analogs

35502495
35502495

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

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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) 5.28 9.41 -36.14 2 1 1 17 408.204 3 ↓
Mid Mid (pH 6-8) 5.28 8.41 -2.64 1 1 0 12 407.196 3 ↓

Analogs

35502492
35502492

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

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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) 5.28 9.63 -36.78 2 1 1 17 408.204 3 ↓
Mid Mid (pH 6-8) 5.28 8.54 -2.22 1 1 0 12 407.196 3 ↓

Parameters Provided:

ring.id = 17296
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 = 17296 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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