UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

60855748
60855748

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Popular Name: 1-amino-N-(2-cyanoethyl)-N-(2-morpholinoethyl)cyclopentanecarboxamide 1-amino-N-(2-cyanoethyl)-N-(2-mo…

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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) -0.12 2.55 -55.38 3 6 1 84 295.407 6 ↓
Mid Mid (pH 6-8) -0.12 2.32 -11.93 2 6 0 83 294.399 6 ↓
Mid Mid (pH 6-8) -0.12 4.8 -112.44 4 6 2 85 296.415 6 ↓

Analogs

44811325
44811325
44811331
44811331
44811333
44811333

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Popular Name: 1-cyano-N-(2-morpholinoethyl)cyclopentanecarboxamide 1-cyano-N-(2-morpholinoethyl)cyc…

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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) 0.89 1.76 -8.11 1 5 0 65 251.33 4 ↓
Mid Mid (pH 6-8) 0.89 4.04 -43.94 2 5 1 67 252.338 4 ↓

Analogs

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Popular Name: N-[(2S)-3-methyl-2-morpholino-butyl]cyclopentanecarboxamide N-[(2S)-3-methyl-2-morpholino-bu…

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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) 2.19 3.45 -6.87 1 4 0 42 268.401 5 ↓
Mid Mid (pH 6-8) 2.19 6.48 -41.91 2 4 1 43 269.409 5 ↓

Analogs

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Popular Name: N-[(2R)-3-methyl-2-morpholino-butyl]cyclopentanecarboxamide N-[(2R)-3-methyl-2-morpholino-bu…

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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) 2.19 3.45 -6.89 1 4 0 42 268.401 5 ↓
Mid Mid (pH 6-8) 2.19 6.47 -41.93 2 4 1 43 269.409 5 ↓

Parameters Provided:

ring.id = 579792
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 = 579792 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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