UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

43405699
43405699
43405792
43405792

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Popular Name: [2-(4-propylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine [2-(4-propylphenoxy)-6,7-dihydro…

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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) 4.11 6.97 -44.23 3 3 1 50 283.395 5 ↓
Mid Mid (pH 6-8) 4.11 6.57 -6.56 2 3 0 48 282.387 5 ↓

Analogs

43407413
43407413
43407481
43407481
43407497
43407497
43407540
43407540

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Popular Name: 2-(4-propylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile 2-(4-propylphenoxy)-6,7-dihydro-…

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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) 4.68 9.3 -8.64 0 3 0 46 278.355 4 ↓

Analogs

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Popular Name: [2-(2,3-difluorophenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine [2-(2,3-difluorophenoxy)-6,7-dih…

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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) 3.04 4.86 -49.65 3 3 1 50 277.294 3 ↓
Mid Mid (pH 6-8) 3.04 4.45 -10.22 2 3 0 48 276.286 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,3-difluorophenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile 2-(2,3-difluorophenoxy)-6,7-dihy…

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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) 3.61 7.19 -12.47 0 3 0 46 272.254 2 ↓

Analogs

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Popular Name: 2-(2,3-difluorophenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide 2-(2,3-difluorophenoxy)-6,7-dihy…

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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 6.19 -20.61 2 3 0 48 306.337 3 ↓

Analogs

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Popular Name: 2-(2,3-difluorophenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamidine 2-(2,3-difluorophenoxy)-6,7-dihy…

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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) 2.24 4.36 -35.87 4 4 1 74 290.293 3 ↓

Analogs

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Popular Name: 2-(2,3-difluorophenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic 2-(2,3-difluorophenoxy)-6,7-dihy…

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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) 3.42 8 -62.11 0 4 -1 62 290.245 3 ↓

Analogs

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Popular Name: 2-(4-amino-2,5-dimethyl-phenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile 2-(4-amino-2,5-dimethyl-phenoxy)…

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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) 3.61 6.38 -9.92 2 4 0 72 279.343 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(3,5-difluorophenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine [2-(3,5-difluorophenoxy)-6,7-dih…

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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) 3.06 4.89 -47.32 3 3 1 50 277.294 3 ↓
Mid Mid (pH 6-8) 3.06 4.43 -6.01 2 3 0 48 276.286 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3,5-difluorophenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile 2-(3,5-difluorophenoxy)-6,7-dihy…

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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 7.21 -7.3 0 3 0 46 272.254 2 ↓

Analogs

43409203
43409203

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Popular Name: 2-(3,5-difluorophenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide 2-(3,5-difluorophenoxy)-6,7-dihy…

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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) 3.67 6.28 -15.12 2 3 0 48 306.337 3 ↓

Analogs

43406919
43406919

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Popular Name: 2-(3,5-difluorophenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamidine 2-(3,5-difluorophenoxy)-6,7-dihy…

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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) 2.26 4.39 -34.61 4 4 1 74 290.293 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3,5-difluorophenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic 2-(3,5-difluorophenoxy)-6,7-dihy…

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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) 3.45 8.04 -52.63 0 4 -1 62 290.245 3 ↓

Analogs

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Popular Name: 2-(5-amino-2-chloro-phenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile 2-(5-amino-2-chloro-phenoxy)-6,7…

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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) 3.06 5.45 -10.66 2 4 0 72 285.734 2 ↓

Analogs

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Popular Name: [2-[3-(methoxymethyl)phenoxy]-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine [2-[3-(methoxymethyl)phenoxy]-6,…

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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) 2.73 4.48 -45.79 3 4 1 59 285.367 5 ↓
Mid Mid (pH 6-8) 2.73 4.01 -9.41 2 4 0 57 284.359 5 ↓

Analogs

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Popular Name: 2-[3-(methoxymethyl)phenoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile 2-[3-(methoxymethyl)phenoxy]-6,7…

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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) 3.31 6.8 -10.58 0 4 0 55 280.327 4 ↓

Parameters Provided:

ring.id = 43847
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 = 43847 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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