UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35498581
35498581

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Popular Name: (1S)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-(4-isopropoxyphenyl)-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) 4.63 9.97 -39.31 2 2 1 26 302.463 5 ↓
Hi High (pH 8-9.5) 4.63 8.8 -4.73 1 2 0 21 301.455 5 ↓

Analogs

35498579
35498579

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Popular Name: (1R)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-(4-isopropoxyphenyl)-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) 4.63 10.07 -39.77 2 2 1 26 302.463 5 ↓
Hi High (pH 8-9.5) 4.63 8.79 -4.94 1 2 0 21 301.455 5 ↓

Analogs

35498979
35498979

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Popular Name: (1S)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-(5-fluoro-2-methoxy-phenyl)-N-methyl-methanamin (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) 3.98 8.49 -36.4 2 2 1 26 292.399 4 ↓
Mid Mid (pH 6-8) 3.98 7.53 -5.56 1 2 0 21 291.391 4 ↓

Analogs

35498977
35498977

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Popular Name: (1R)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-(5-fluoro-2-methoxy-phenyl)-N-methyl-methanamin (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) 3.98 8.76 -37.09 2 2 1 26 292.399 4 ↓
Mid Mid (pH 6-8) 3.98 7.68 -5.15 1 2 0 21 291.391 4 ↓

Analogs

35501441
35501441

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

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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) 5.12 10.09 -43.38 2 1 1 17 313.273 3 ↓
Mid Mid (pH 6-8) 5.12 8.9 -3.67 1 1 0 12 312.265 3 ↓

Analogs

35501440
35501440

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

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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) 5.12 10.19 -43.76 2 1 1 17 313.273 3 ↓
Mid Mid (pH 6-8) 5.12 8.97 -3.26 1 1 0 12 312.265 3 ↓

Analogs

35501806
35501806

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

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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) 5.12 9.96 -36.05 2 1 1 17 313.273 3 ↓
Mid Mid (pH 6-8) 5.12 9.02 -3.52 1 1 0 12 312.265 3 ↓

Analogs

35501805
35501805

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

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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) 5.12 10.15 -36.72 2 1 1 17 313.273 3 ↓
Mid Mid (pH 6-8) 5.12 9.17 -2.97 1 1 0 12 312.265 3 ↓

Parameters Provided:

ring.id = 17734
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 = 17734 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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