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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35497830
35497830
35497510
35497510
35497511
35497511
35497513
35497513
35497514
35497514

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Popular Name: (1R)-1-cyclopentyl-1-(2,5-dimethyl-3-thienyl)-N-methyl-methanamine (1R)-1-cyclopentyl-1-(2,5-dimeth…

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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) 3.49 7.82 -37.78 2 1 1 17 224.393 3 ↓

Analogs

35497510
35497510
35497511
35497511
35497513
35497513
35497514
35497514
35497828
35497828

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Popular Name: (1S)-1-cyclopentyl-1-(2,5-dimethyl-3-thienyl)-N-methyl-methanamine (1S)-1-cyclopentyl-1-(2,5-dimeth…

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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) 3.49 7.68 -38.21 2 1 1 17 224.393 3 ↓

Analogs

35502332
35502332
35502109
35502109
35502111
35502111
35502112
35502112
35502113
35502113

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopentyl-1-(2,5-dichloro-3-thienyl)-N-methyl-methanamine (1R)-1-cyclopentyl-1-(2,5-dichlo…

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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) 4.65 7.24 -39.03 2 1 1 17 265.229 3 ↓

Analogs

35502109
35502109
35502111
35502111
35502112
35502112
35502113
35502113
35502225
35502225

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-cyclopentyl-1-(2,5-dichloro-3-thienyl)-N-methyl-methanamine (1S)-1-cyclopentyl-1-(2,5-dichlo…

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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) 4.65 7.52 -34.87 2 1 1 17 265.229 3 ↓

Analogs

35503107
35503107
35502641
35502641
35502643
35502643
35502646
35502646
35502648
35502648

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopentyl-1-(2,5-dibromo-3-thienyl)-N-methyl-methanamine (1R)-1-cyclopentyl-1-(2,5-dibrom…

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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) 4.92 7.44 -38.87 2 1 1 17 354.131 3 ↓

Analogs

35502641
35502641
35502643
35502643
35502646
35502646
35502648
35502648
35503104
35503104

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Popular Name: (1S)-1-cyclopentyl-1-(2,5-dibromo-3-thienyl)-N-methyl-methanamine (1S)-1-cyclopentyl-1-(2,5-dibrom…

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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) 4.92 7.75 -34.47 2 1 1 17 354.131 3 ↓

Analogs

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Popular Name: N-methyl-1-[1-(3-thienylmethyl)cyclopentyl]methanamine N-methyl-1-[1-(3-thienylmethyl)c…

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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) 2.97 7.04 -39.52 2 1 1 17 210.366 4 ↓

Analogs

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Popular Name: N-[[1-(3-thienylmethyl)cyclopentyl]methyl]ethanamine N-[[1-(3-thienylmethyl)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) 3.00 7.9 -37.86 2 1 1 17 224.393 5 ↓

Analogs

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Popular Name: N-[[1-(3-thienylmethyl)cyclopentyl]methyl]propan-1-amine N-[[1-(3-thienylmethyl)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) 3.50 8.66 -38.67 2 1 1 17 238.42 6 ↓

Analogs

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Popular Name: N-[[1-(3-thienylmethyl)cyclopentyl]methyl]propan-2-amine N-[[1-(3-thienylmethyl)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) 3.65 8.34 -39.9 2 1 1 17 238.42 5 ↓

Analogs

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Popular Name: 2-methyl-N-[[1-(3-thienylmethyl)cyclopentyl]methyl]propan-2-amine 2-methyl-N-[[1-(3-thienylmethyl)…

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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) 4.16 8.76 -38.27 2 1 1 17 252.447 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[1-(3-thienylmethyl)cyclopentyl]methyl]propan-1-amine 2-methyl-N-[[1-(3-thienylmethyl)…

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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) 3.74 9.24 -42.2 2 1 1 17 252.447 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[[1-(3-thienylmethyl)cyclopentyl]methyl]ethanamine 2-methoxy-N-[[1-(3-thienylmethyl…

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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) 2.61 7.01 -37.44 2 2 1 26 254.419 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-cyclopentyl-(2,5-dichloro-3-thienyl)methanamine (R)-cyclopentyl-(2,5-dichloro-3-…

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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) 2.40 5.66 -40.33 3 1 1 28 251.202 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-cyclopentyl-(2,5-dichloro-3-thienyl)methanamine (S)-cyclopentyl-(2,5-dichloro-3-…

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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) 2.40 6.12 -43.17 3 1 1 28 251.202 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-cyclopentyl-(2,5-dibromo-3-thienyl)methanamine (R)-cyclopentyl-(2,5-dibromo-3-t…

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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) 2.66 5.87 -39.86 3 1 1 28 340.104 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-cyclopentyl-(2,5-dibromo-3-thienyl)methanamine (S)-cyclopentyl-(2,5-dibromo-3-t…

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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) 2.66 6.3 -42.96 3 1 1 28 340.104 2 ↓

Parameters Provided:

ring.id = 17491
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 = 17491 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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