UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35497436
35497436

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Popular Name: (1S)-1-(2,5-dimethyl-3-thienyl)-N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methana (1S)-1-(2,5-dimethyl-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) 4.89 10.56 -36.01 2 1 1 17 306.52 3 ↓
Mid Mid (pH 6-8) 4.89 9.74 -3.53 1 1 0 12 305.512 3 ↓

Analogs

35497434
35497434

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Popular Name: (1R)-1-(2,5-dimethyl-3-thienyl)-N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methana (1R)-1-(2,5-dimethyl-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) 4.89 10.92 -36.86 2 1 1 17 306.52 3 ↓
Mid Mid (pH 6-8) 4.89 9.65 -3.87 1 1 0 12 305.512 3 ↓

Analogs

35502065
35502065

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Popular Name: (1S)-1-(2,5-dichloro-3-thienyl)-N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methana (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) 6.05 10.31 -35.67 2 1 1 17 347.356 3 ↓
Mid Mid (pH 6-8) 6.05 9.3 -2.02 1 1 0 12 346.348 3 ↓

Analogs

35502064
35502064

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Popular Name: (1R)-1-(2,5-dichloro-3-thienyl)-N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methana (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) 6.05 10.56 -36.35 2 1 1 17 347.356 3 ↓
Mid Mid (pH 6-8) 6.05 9.44 -1.6 1 1 0 12 346.348 3 ↓

Analogs

35502531
35502531

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Popular Name: (1S)-1-(2,5-dibromo-3-thienyl)-N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanam (1S)-1-(2,5-dibromo-3-thienyl)-N…

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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) 6.31 10.51 -35.39 2 1 1 17 436.258 3 ↓
Mid Mid (pH 6-8) 6.31 9.51 -2.04 1 1 0 12 435.25 3 ↓

Analogs

35502528
35502528

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Popular Name: (1R)-1-(2,5-dibromo-3-thienyl)-N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanam (1R)-1-(2,5-dibromo-3-thienyl)-N…

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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) 6.31 10.73 -36.09 2 1 1 17 436.258 3 ↓
Mid Mid (pH 6-8) 6.31 9.64 -1.64 1 1 0 12 435.25 3 ↓

Parameters Provided:

ring.id = 17305
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 = 17305 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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