UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

43408635
43408635

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Popular Name: 2-[(6R)-2,2,6-trimethylmorpholin-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide 2-[(6R)-2,2,6-trimethylmorpholin…

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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) 2.79 7.66 -35.67 3 4 1 53 306.455 2 ↓
Mid Mid (pH 6-8) 2.79 7.2 -11.95 2 4 0 51 305.447 2 ↓

Analogs

43408635
43408635

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Popular Name: 2-[(6S)-2,2,6-trimethylmorpholin-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide 2-[(6S)-2,2,6-trimethylmorpholin…

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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) 2.79 7.67 -35.63 3 4 1 53 306.455 2 ↓
Mid Mid (pH 6-8) 2.79 7.2 -11.93 2 4 0 51 305.447 2 ↓

Analogs

42249730
42249730
42244916
42244916
42244920
42244920
42244924
42244924

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

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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) 1.93 6.94 -7.29 0 4 0 49 243.31 1 ↓

Analogs

42249725
42249725
42244916
42244916
42244920
42244920

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

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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) 1.93 6.94 -7.32 0 4 0 49 243.31 1 ↓

Analogs

42249813
42249813

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Popular Name: 2-[(2R)-2-ethylmorpholin-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile 2-[(2R)-2-ethylmorpholin-4-yl]-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) 2.43 7.78 -7.07 0 4 0 49 257.337 2 ↓

Analogs

42249808
42249808

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Popular Name: 2-[(2S)-2-ethylmorpholin-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile 2-[(2S)-2-ethylmorpholin-4-yl]-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) 2.43 7.78 -7.05 0 4 0 49 257.337 2 ↓

Analogs

42250406
42250406

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

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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 7.68 -6.76 0 4 0 49 257.337 1 ↓

Analogs

42250401
42250401

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

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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 7.11 -7.13 0 4 0 49 257.337 1 ↓

Analogs

42250773
42250773

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

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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) 1.90 6.35 -7.14 0 4 0 49 243.31 1 ↓

Analogs

42250769
42250769

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

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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) 1.90 6.36 -7.11 0 4 0 49 243.31 1 ↓

Analogs

44477557
44477557
44477559
44477559

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Popular Name: 2-(2,2-dimethylmorpholin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile 2-(2,2-dimethylmorpholin-4-yl)-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) 2.38 7.7 -6.83 0 4 0 49 257.337 1 ↓

Parameters Provided:

ring.id = 568069
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 = 568069 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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