UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

34936857
34936857
34936858
34936858
34936859
34936859
34936860
34936860

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Popular Name: (2S)-2-[[(1S)-1-cyclohexylethyl]amino]-N-cyclopentyl-propanamide (2S)-2-[[(1S)-1-cyclohexylethyl]…

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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) 3.55 7.13 -36.48 3 3 1 46 267.437 5 ↓

Analogs

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Popular Name: (2S)-2-[[(1R)-1-cyclohexylethyl]amino]-N-cyclopentyl-propanamide (2S)-2-[[(1R)-1-cyclohexylethyl]…

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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) 3.55 7.19 -36.63 3 3 1 46 267.437 5 ↓

Analogs

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Popular Name: (2R)-2-[[(1S)-1-cyclohexylethyl]amino]-N-cyclopentyl-propanamide (2R)-2-[[(1S)-1-cyclohexylethyl]…

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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) 3.55 7.08 -35.92 3 3 1 46 267.437 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[(1R)-1-cyclohexylethyl]amino]-N-cyclopentyl-propanamide (2R)-2-[[(1R)-1-cyclohexylethyl]…

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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) 3.55 7.07 -36.52 3 3 1 46 267.437 5 ↓

Analogs

42579702
42579702
42579705
42579705
42579708
42579708

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Popular Name: 2-[[(1S)-1-cyclohexylethyl]amino]-N-cyclopentyl-acetamide 2-[[(1S)-1-cyclohexylethyl]amino…

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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) 3.72 6.62 -40.22 3 3 1 46 253.41 5 ↓
Hi High (pH 8-9.5) 3.72 5.57 -6.27 2 3 0 41 252.402 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(1R)-1-cyclohexylethyl]amino]-N-cyclopentyl-acetamide 2-[[(1R)-1-cyclohexylethyl]amino…

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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) 3.72 6.69 -39.62 3 3 1 46 253.41 5 ↓
Hi High (pH 8-9.5) 3.72 5.71 -6.32 2 3 0 41 252.402 5 ↓

Analogs

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Popular Name: (2S)-2-[[(1S)-1-cyclohexylpropyl]amino]-N-cyclopentyl-propanamide (2S)-2-[[(1S)-1-cyclohexylpropyl…

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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) 4.09 7.73 -36.22 3 3 1 46 281.464 6 ↓

Analogs

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Popular Name: (2S)-2-[[(1R)-1-cyclohexylpropyl]amino]-N-cyclopentyl-propanamide (2S)-2-[[(1R)-1-cyclohexylpropyl…

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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) 4.09 7.76 -34.59 3 3 1 46 281.464 6 ↓

Analogs

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Popular Name: (2R)-2-[[(1S)-1-cyclohexylpropyl]amino]-N-cyclopentyl-propanamide (2R)-2-[[(1S)-1-cyclohexylpropyl…

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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) 4.09 7.9 -35.29 3 3 1 46 281.464 6 ↓

Analogs

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Popular Name: (2R)-2-[[(1R)-1-cyclohexylpropyl]amino]-N-cyclopentyl-propanamide (2R)-2-[[(1R)-1-cyclohexylpropyl…

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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) 4.09 7.92 -35.68 3 3 1 46 281.464 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(1S)-1-cyclohexylpropyl]amino]-N-cyclopentyl-acetamide 2-[[(1S)-1-cyclohexylpropyl]amin…

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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) 4.26 7.37 -39.21 3 3 1 46 267.437 6 ↓

Analogs

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Popular Name: 2-[[(1R)-1-cyclohexylpropyl]amino]-N-cyclopentyl-acetamide 2-[[(1R)-1-cyclohexylpropyl]amin…

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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) 4.26 7.24 -38.07 3 3 1 46 267.437 6 ↓

Analogs

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Popular Name: (2S)-2-(cyclohexylmethylamino)-N-cyclopentyl-propanamide (2S)-2-(cyclohexylmethylamino)-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) 3.22 6.84 -38.78 3 3 1 46 253.41 5 ↓

Analogs

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Popular Name: (2R)-2-(cyclohexylmethylamino)-N-cyclopentyl-propanamide (2R)-2-(cyclohexylmethylamino)-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) 3.22 6.84 -39 3 3 1 46 253.41 5 ↓

Analogs

42863216
42863216
42863219
42863219
42863222
42863222
42863224
42863224

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Popular Name: 2-(cyclohexylmethylamino)-N-cyclopentyl-acetamide 2-(cyclohexylmethylamino)-N-cycl…

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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) 3.04 6.31 -42.55 3 3 1 46 239.383 5 ↓
Hi High (pH 8-9.5) 3.04 5.11 -6.42 2 3 0 41 238.375 5 ↓

Parameters Provided:

ring.id = 221364
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 = 221364 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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