UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-(pivaloylamino)-2-pyrrolidino-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide 5-(pivaloylamino)-2-pyrrolidino-…

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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) 2.82 -2.94 -14.59 2 6 0 70 373.497 6 ↓

Analogs

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Popular Name: 5-(pivaloylamino)-2-pyrrolidino-N-[[(2S)-tetrahydrofuran-2-yl]methyl]benzamide 5-(pivaloylamino)-2-pyrrolidino-…

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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) 2.82 -2.99 -13.99 2 6 0 70 373.497 6 ↓

Analogs

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Popular Name: 5-(3,3-dimethylbutanoylamino)-2-pyrrolidino-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide 5-(3,3-dimethylbutanoylamino)-2-…

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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) 3.09 -2.89 -13.75 2 6 0 70 387.524 7 ↓

Analogs

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Popular Name: 5-(3,3-dimethylbutanoylamino)-2-pyrrolidino-N-[[(2S)-tetrahydrofuran-2-yl]methyl]benzamide 5-(3,3-dimethylbutanoylamino)-2-…

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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) 3.09 -2.94 -13.23 2 6 0 70 387.524 7 ↓

Analogs

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Popular Name: 2-pyrrolidino-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-5-[[(3R)-3,5,5-trimethylhexanoyl]amino]benzamide 2-pyrrolidino-N-[[(2R)-tetrahydr…

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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) 4.11 -2.35 -14.13 2 6 0 70 429.605 9 ↓

Analogs

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Popular Name: 2-pyrrolidino-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-5-[[(3S)-3,5,5-trimethylhexanoyl]amino]benzamide 2-pyrrolidino-N-[[(2R)-tetrahydr…

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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) 4.11 -2.4 -13.57 2 6 0 70 429.605 9 ↓

Analogs

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Popular Name: 2-pyrrolidino-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-5-[[(3R)-3,5,5-trimethylhexanoyl]amino]benzamide 2-pyrrolidino-N-[[(2S)-tetrahydr…

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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) 4.11 -2.41 -13.55 2 6 0 70 429.605 9 ↓

Analogs

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Popular Name: 2-pyrrolidino-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-5-[[(3S)-3,5,5-trimethylhexanoyl]amino]benzamide 2-pyrrolidino-N-[[(2S)-tetrahydr…

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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) 4.11 -2.47 -13.58 2 6 0 70 429.605 9 ↓

Analogs

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Popular Name: 5-[(2-methoxyacetyl)amino]-2-pyrrolidino-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide 5-[(2-methoxyacetyl)amino]-2-pyr…

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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) 1.10 5.76 -15.25 2 7 0 80 361.442 7 ↓

Analogs

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Popular Name: 5-[(2-methoxyacetyl)amino]-2-pyrrolidino-N-[[(2S)-tetrahydrofuran-2-yl]methyl]benzamide 5-[(2-methoxyacetyl)amino]-2-pyr…

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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) 1.10 -4.05 -17.69 2 7 0 79 361.442 7 ↓

Analogs

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Popular Name: 5-[[(2S)-2-chloropropanoyl]amino]-2-pyrrolidino-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide 5-[[(2S)-2-chloropropanoyl]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) 2.08 -4.01 -15.22 2 6 0 70 379.888 6 ↓

Analogs

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Popular Name: 5-[[(2R)-2-chloropropanoyl]amino]-2-pyrrolidino-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide 5-[[(2R)-2-chloropropanoyl]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) 2.08 -4.01 -15.17 2 6 0 70 379.888 6 ↓

Analogs

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Popular Name: 5-[[(2S)-2-chloropropanoyl]amino]-2-pyrrolidino-N-[[(2S)-tetrahydrofuran-2-yl]methyl]benzamide 5-[[(2S)-2-chloropropanoyl]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) 2.08 -4.12 -15.55 2 6 0 70 379.888 6 ↓

Analogs

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Popular Name: 5-[[(2R)-2-chloropropanoyl]amino]-2-pyrrolidino-N-[[(2S)-tetrahydrofuran-2-yl]methyl]benzamide 5-[[(2R)-2-chloropropanoyl]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) 2.08 -4.06 -14.56 2 6 0 70 379.888 6 ↓

Analogs

20893176
20893176
735669
735669
735671
735671
735767
735767

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Popular Name: 5-nitro-2-pyrrolidin-1-yl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]benzamide 5-nitro-2-pyrrolidin-1-yl-N-[[(2…

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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 7.44 -7.81 1 7 0 87 319.361 5 ↓

Analogs

735669
735669
735671
735671
735767
735767

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Popular Name: 5-nitro-2-pyrrolidin-1-yl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide 5-nitro-2-pyrrolidin-1-yl-N-[[(2…

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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 7.47 -7.77 1 7 0 87 319.361 5 ↓

Parameters Provided:

ring.id = 609
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 = 609 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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