UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(2-chloro-4-methoxy-phenyl)-N'-cyclopentyl-oxamide N-(2-chloro-4-methoxy-phenyl)-N'…

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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) 2.28 3.96 -5.52 2 5 0 67 296.754 4 ↓

Analogs

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Popular Name: N-[3-chloro-4-(propylcarbamoyl)phenyl]-N'-cyclopentyl-oxamide N-[3-chloro-4-(propylcarbamoyl)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) 2.30 4.43 -10.14 3 6 0 87 351.834 6 ↓
Hi High (pH 8-9.5) 2.48 3.63 -49.98 2 6 -1 94 350.826 6 ↓

Analogs

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Popular Name: N-[(1S,2R)-2-butylcyclopentyl]-N'-[3-(isopropylcarbamoyl)-4-methyl-phenyl]oxamide N-[(1S,2R)-2-butylcyclopentyl]-N…

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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 7.87 -8.52 3 6 0 87 387.524 8 ↓

Analogs

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Popular Name: N-[(1S,2S)-2-butylcyclopentyl]-N'-[3-(isopropylcarbamoyl)-4-methyl-phenyl]oxamide N-[(1S,2S)-2-butylcyclopentyl]-N…

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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 7.52 -8.77 3 6 0 87 387.524 8 ↓

Analogs

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Popular Name: N-[(1R,2R)-2-butylcyclopentyl]-N'-[3-(isopropylcarbamoyl)-4-methyl-phenyl]oxamide N-[(1R,2R)-2-butylcyclopentyl]-N…

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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 7.47 -8.71 3 6 0 87 387.524 8 ↓

Analogs

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Popular Name: N-[(1R,2S)-2-butylcyclopentyl]-N'-[3-(isopropylcarbamoyl)-4-methyl-phenyl]oxamide N-[(1R,2S)-2-butylcyclopentyl]-N…

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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 7.88 -8.53 3 6 0 87 387.524 8 ↓

Analogs

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Popular Name: N'-cyclopentyl-N-[3-[isopropyl(methyl)amino]phenyl]oxamide N'-cyclopentyl-N-[3-[isopropyl(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) 2.37 5.88 -5.94 2 5 0 61 303.406 5 ↓
Lo Low (pH 4.5-6) 2.37 6.32 -26.71 3 5 0 63 304.414 5 ↓

Analogs

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Popular Name: N'-cyclopentyl-N-[3-(difluoromethylsulfanyl)phenyl]oxamide N'-cyclopentyl-N-[3-(difluoromet…

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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) 2.59 5.33 -7.83 2 4 0 58 314.357 5 ↓

Analogs

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Popular Name: N-(3-chloro-4-cyano-phenyl)-N'-(1-cyanocyclopentyl)oxamide N-(3-chloro-4-cyano-phenyl)-N'-(…

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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 4.74 -12.24 2 6 0 106 316.748 3 ↓
Hi High (pH 8-9.5) 2.02 3.9 -43.93 1 6 -1 112 315.74 3 ↓

Analogs

44880586
44880586

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Popular Name: N'-cyclopentyl-N-ethyl-N-(3-fluorophenyl)oxamide N'-cyclopentyl-N-ethyl-N-(3-fluo…

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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 6.47 -6.96 1 4 0 49 278.327 4 ↓

Analogs

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Popular Name: N'-cyclopentyl-N-(2,3-dimethylphenyl)-N-methyl-oxamide N'-cyclopentyl-N-(2,3-dimethylph…

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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) 2.67 7.39 -5.79 1 4 0 49 274.364 3 ↓

Analogs

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Popular Name: N'-cyclopentyl-N-(2,3-difluorophenyl)oxamide N'-cyclopentyl-N-(2,3-difluoroph…

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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) 1.85 4.21 -6.37 2 4 0 58 268.263 3 ↓

Parameters Provided:

ring.id = 136502
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 = 136502 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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