UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(5-chloro-2-propoxy-phenyl)-4-morpholino-4-oxo-butanamide N-(5-chloro-2-propoxy-phenyl)-4-…

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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 5.76 -9.9 1 6 0 68 354.834 7 ↓

Analogs

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Popular Name: N-(2-cyanoethyl)-4-(3,3-dimethylmorpholin-4-yl)-4-oxo-N-phenyl-butanamide N-(2-cyanoethyl)-4-(3,3-dimethyl…

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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) 0.70 8.48 -12.95 0 6 0 74 343.427 6 ↓

Analogs

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Popular Name: 2-[(3S)-4-[4-(3-ethylanilino)-4-oxo-butanoyl]morpholin-3-yl]acetic 2-[(3S)-4-[4-(3-ethylanilino)-4-…

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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) 1.25 7.64 -58.73 1 7 -1 99 347.391 7 ↓

Analogs

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Popular Name: 2-[(3R)-4-[4-(3-ethylanilino)-4-oxo-butanoyl]morpholin-3-yl]acetic 2-[(3R)-4-[4-(3-ethylanilino)-4-…

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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) 1.25 7.68 -58.15 1 7 -1 99 347.391 7 ↓

Analogs

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Popular Name: N-(2-cyanoethyl)-4-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-4-oxo-N-phenyl-butanamide N-(2-cyanoethyl)-4-[(2R,5R)-2,5-…

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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) 0.58 8.68 -13.56 0 6 0 74 343.427 6 ↓

Analogs

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Popular Name: N-(2-cyanoethyl)-4-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-4-oxo-N-phenyl-butanamide N-(2-cyanoethyl)-4-[(2S,5R)-2,5-…

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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) 0.58 8.55 -12.96 0 6 0 74 343.427 6 ↓

Analogs

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Popular Name: N-(2-cyanoethyl)-4-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-4-oxo-N-phenyl-butanamide N-(2-cyanoethyl)-4-[(2R,5S)-2,5-…

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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) 0.58 8.59 -12.93 0 6 0 74 343.427 6 ↓

Analogs

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Popular Name: N-(2-cyanoethyl)-4-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-4-oxo-N-phenyl-butanamide N-(2-cyanoethyl)-4-[(2S,5S)-2,5-…

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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) 0.58 8.68 -13.58 0 6 0 74 343.427 6 ↓

Analogs

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Popular Name: N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-morpholino-4-oxo-butanamide N-[4-fluoro-3-(trifluoromethyl)p…

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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) 1.84 5.14 -10.7 1 5 0 59 348.296 5 ↓

Analogs

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Popular Name: N-(4-chloro-3-fluoro-phenyl)-4-morpholino-4-oxo-butanamide N-(4-chloro-3-fluoro-phenyl)-4-m…

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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) 1.62 4.65 -10.06 1 5 0 59 314.744 4 ↓

Analogs

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Popular Name: N-(3-iodophenyl)-4-morpholino-4-oxo-butanamide N-(3-iodophenyl)-4-morpholino-4-…

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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) 1.91 5.18 -9.1 1 5 0 59 388.205 4 ↓

Parameters Provided:

ring.id = 48702
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 = 48702 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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