UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

220
220
7998002
7998002
7998025
7998025

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Popular Name: (5-ethylquinuclidin-2-yl)-(6-methoxy-4-quinolyl)-methanol (5-ethylquinuclidin-2-yl)-(6-met…

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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) 3.29 6.44 -40.52 2 4 1 47 327.448 4 ↓

Analogs

56607
56607
156021
156021
156023
156023
389626
389626
1317949
1317949

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Popular Name: (5-ethylquinuclidin-2-yl)-(6-methoxy-4-quinolyl)-methanol (5-ethylquinuclidin-2-yl)-(6-met…

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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) 3.29 -1.75 -41.23 2 4 1 46 327.448 4 ↓

Analogs

402416
402416
403582
403582
896228
896228
968238
968238
1280206
1280206

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Popular Name: (6-methoxy-4-quinolyl)-(5-vinylquinuclidin-2-yl)-methanol (6-methoxy-4-quinolyl)-(5-vinylq…

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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 6.29 -42.02 2 4 1 47 325.432 4 ↓
Lo Low (pH 4.5-6) 3.06 6.72 -92.33 3 4 2 48 326.44 4 ↓

Analogs

38262132
38262132
22047341
22047341
22047346
22047346

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Popular Name: [(S)-[(2R,4R,5R)-5-hydroxy-5-[(1S)-1-hydroxyethyl]quinuclidin-2-yl]-(6-methoxy-4-quinolyl)methyl] [(S)-[(2R,4R,5R)-5-hydroxy-5-[(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) 2.04 4.54 -43.56 3 7 1 93 401.483 6 ↓
Lo Low (pH 4.5-6) 2.04 4.97 -106.21 4 7 2 95 402.491 6 ↓

Analogs

38262132
38262132
22047341
22047341
22047346
22047346

Draw Identity 99% 90% 80% 70%

Popular Name: [(S)-[(2R,4R,5S)-5-hydroxy-5-[(1S)-1-hydroxyethyl]quinuclidin-2-yl]-(6-methoxy-4-quinolyl)methyl] [(S)-[(2R,4R,5S)-5-hydroxy-5-[(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) 2.04 4.09 -40.16 3 7 1 93 401.483 6 ↓
Lo Low (pH 4.5-6) 2.04 4.53 -94.22 4 7 2 95 402.491 6 ↓

Analogs

38262132
38262132
22047341
22047341
22047346
22047346

Draw Identity 99% 90% 80% 70%

Popular Name: [(S)-[(2R,4R,5S)-5-hydroxy-5-[(1R)-1-hydroxyethyl]quinuclidin-2-yl]-(6-methoxy-4-quinolyl)methyl] [(S)-[(2R,4R,5S)-5-hydroxy-5-[(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) 2.04 4.55 -42.81 3 7 1 93 401.483 6 ↓
Lo Low (pH 4.5-6) 2.04 4.98 -105.04 4 7 2 95 402.491 6 ↓

Analogs

38262132
38262132
22047341
22047341
22047346
22047346

Draw Identity 99% 90% 80% 70%

Popular Name: [(R)-[(2S,4R,5R)-5-hydroxy-5-[(1S)-1-hydroxyethyl]quinuclidin-2-yl]-(6-methoxy-4-quinolyl)methyl] [(R)-[(2S,4R,5R)-5-hydroxy-5-[(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) 2.04 4.07 -43.94 3 7 1 93 401.483 6 ↓
Lo Low (pH 4.5-6) 2.04 4.28 -89.54 4 7 2 95 402.491 6 ↓

Analogs

38262132
38262132
22047341
22047341
22047346
22047346

Draw Identity 99% 90% 80% 70%

Popular Name: [(R)-[(2S,4R,5R)-5-hydroxy-5-[(1R)-1-hydroxyethyl]quinuclidin-2-yl]-(6-methoxy-4-quinolyl)methyl] [(R)-[(2S,4R,5R)-5-hydroxy-5-[(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) 2.04 5.26 -42.21 3 7 1 93 401.483 6 ↓
Lo Low (pH 4.5-6) 2.04 5.68 -90.22 4 7 2 95 402.491 6 ↓

Analogs

38262132
38262132
22047341
22047341
22047346
22047346

Draw Identity 99% 90% 80% 70%

Popular Name: [(R)-[(2S,4R,5S)-5-hydroxy-5-[(1S)-1-hydroxyethyl]quinuclidin-2-yl]-(6-methoxy-4-quinolyl)methyl] [(R)-[(2S,4R,5S)-5-hydroxy-5-[(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) 2.04 5.55 -43.3 3 7 1 93 401.483 6 ↓
Lo Low (pH 4.5-6) 2.04 6.08 -89.7 4 7 2 95 402.491 6 ↓

Analogs

38262132
38262132
22047341
22047341
22047346
22047346

Draw Identity 99% 90% 80% 70%

Popular Name: [(R)-[(2S,4R,5S)-5-hydroxy-5-[(1R)-1-hydroxyethyl]quinuclidin-2-yl]-(6-methoxy-4-quinolyl)methyl] [(R)-[(2S,4R,5S)-5-hydroxy-5-[(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) 2.04 5.53 -45.04 3 7 1 93 401.483 6 ↓
Lo Low (pH 4.5-6) 2.04 6.06 -90.79 4 7 2 95 402.491 6 ↓

Analogs

688
688

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(7-methoxy-4-quinolyl)-[(2S,4S,5R)-5-vinylquinuclidin-2-yl]methanol (R)-(7-methoxy-4-quinolyl)-[(2S,…

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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 7.19 -48.3 2 4 1 47 325.432 4 ↓

Analogs

688
688

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Popular Name: (R)-(7-methoxy-4-quinolyl)-[(2R,4S,5R)-5-vinylquinuclidin-2-yl]methanol (R)-(7-methoxy-4-quinolyl)-[(2R,…

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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 6.24 -46.33 2 4 1 47 325.432 4 ↓

Analogs

688
688

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(7-methoxy-4-quinolyl)-[(2S,4R,5R)-5-vinylquinuclidin-2-yl]methanol (R)-(7-methoxy-4-quinolyl)-[(2S,…

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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 7.17 -48.42 2 4 1 47 325.432 4 ↓

Analogs

688
688

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(7-methoxy-4-quinolyl)-[(2R,4R,5R)-5-vinylquinuclidin-2-yl]methanol (R)-(7-methoxy-4-quinolyl)-[(2R,…

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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 6.29 -47.85 2 4 1 47 325.432 4 ↓

Parameters Provided:

ring.id = 175
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 = 175 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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