UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: methyl methyl

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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) 0.99 5.98 -19.05 1 8 0 94 376.409 6 ↓

Analogs

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Popular Name: methyl methyl

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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) 0.99 6.15 -16.69 1 8 0 94 376.409 6 ↓

Analogs

36147153
36147153
21897433
21897433
21897435
21897435

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Popular Name: (3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-hexyl-5-oxo-pyrrolidine-3-carboxamide (3R)-1-(2,3-dihydro-1,4-benzodio…

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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) 2.46 6.79 -16.22 1 6 0 68 346.427 7 ↓

Analogs

36147150
36147150
21897433
21897433
21897435
21897435

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Popular Name: (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-hexyl-5-oxo-pyrrolidine-3-carboxamide (3S)-1-(2,3-dihydro-1,4-benzodio…

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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) 2.46 6.87 -20.13 1 6 0 68 346.427 7 ↓

Analogs

20897912
20897912

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Popular Name: (3S)-N-(3-butoxypropyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-pyrrolidine-3-carboxamide (3S)-N-(3-butoxypropyl)-1-(2,3-d…

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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) 1.71 6.17 -22.13 1 7 0 77 376.453 9 ↓

Analogs

20897909
20897909

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Popular Name: (3R)-N-(3-butoxypropyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-pyrrolidine-3-carboxamide (3R)-N-(3-butoxypropyl)-1-(2,3-d…

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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) 1.71 6.07 -22.75 1 7 0 77 376.453 9 ↓

Analogs

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Popular Name: (3S)-N-(2-acetamidoethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-pyrrolidine-3-carboxamide (3S)-N-(2-acetamidoethyl)-1-(2,3…

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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) -0.84 2.12 -27.46 2 8 0 97 347.371 5 ↓

Analogs

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Popular Name: (3R)-N-(2-acetamidoethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-pyrrolidine-3-carboxamide (3R)-N-(2-acetamidoethyl)-1-(2,3…

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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) -0.84 2.02 -27.96 2 8 0 97 347.371 5 ↓

Analogs

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Popular Name: (3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-isobutoxypropyl)-5-oxo-pyrrolidine-3-carboxamide (3R)-1-(2,3-dihydro-1,4-benzodio…

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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) 1.39 5.98 -16.85 1 7 0 77 376.453 8 ↓

Analogs

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Popular Name: (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-isobutoxypropyl)-5-oxo-pyrrolidine-3-carboxamide (3S)-1-(2,3-dihydro-1,4-benzodio…

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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) 1.39 6.06 -20.51 1 7 0 77 376.453 8 ↓

Analogs

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Popular Name: (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(ethylamino)-2-oxo-ethyl]-5-oxo-pyrrolidine-3-carboxa (3S)-1-(2,3-dihydro-1,4-benzodio…

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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) 0.00 2.22 -21.22 2 8 0 97 347.371 5 ↓

Analogs

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Popular Name: (3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(1,1,3,3-tetramethylbutyl)pyrrolidine-3-carboxamid (3R)-1-(2,3-dihydro-1,4-benzodio…

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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) 2.80 8.17 -14.5 1 6 0 68 374.481 5 ↓

Analogs

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Popular Name: (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(1,1,3,3-tetramethylbutyl)pyrrolidine-3-carboxamid (3S)-1-(2,3-dihydro-1,4-benzodio…

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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) 2.80 8.2 -18.82 1 6 0 68 374.481 5 ↓

Analogs

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Popular Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-2-one 1-(2,3-dihydro-1,4-benzodioxin-6…

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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) 0.81 4.75 -14.19 0 4 0 39 219.24 1 ↓

Analogs

38569995
38569995

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Popular Name: (2S)-2-[[(2S)-2-[[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-pyrrolidine-3-carbonyl]amino]propa (2S)-2-[[(2S)-2-[[(3R)-1-(2,3-di…

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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) -1.65 5.24 -57.56 2 10 -1 137 432.453 7 ↓

Analogs

38569992
38569992

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Popular Name: (2S)-2-[[(2S)-2-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-pyrrolidine-3-carbonyl]amino]propa (2S)-2-[[(2S)-2-[[(3S)-1-(2,3-di…

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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) -1.65 5.31 -61.11 2 10 -1 137 432.453 7 ↓

Analogs

38570076
38570076

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Popular Name: (2S)-2-[[(2S)-2-[[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-pyrrolidine-3-carbonyl]amino]-3-me (2S)-2-[[(2S)-2-[[(3R)-1-(2,3-di…

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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) -1.65 5.29 -50.95 2 10 -1 137 432.453 7 ↓

Analogs

38570073
38570073

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Popular Name: (2S)-2-[[(2S)-2-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-pyrrolidine-3-carbonyl]amino]-3-me (2S)-2-[[(2S)-2-[[(3S)-1-(2,3-di…

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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) -1.65 5.35 -54.21 2 10 -1 137 432.453 7 ↓

Analogs

38570096
38570096

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Popular Name: (2S)-2-[[(2S)-2-[[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-pyrrolidine-3-carbonyl]amino]propa (2S)-2-[[(2S)-2-[[(3R)-1-(2,3-di…

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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) -1.12 6.29 -57.95 2 10 -1 137 446.48 8 ↓

Analogs

38570094
38570094

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Popular Name: (2S)-2-[[(2S)-2-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-pyrrolidine-3-carbonyl]amino]propa (2S)-2-[[(2S)-2-[[(3S)-1-(2,3-di…

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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) -1.12 6.36 -61.56 2 10 -1 137 446.48 8 ↓

Analogs

38570249
38570249
12882601
12882601
12882608
12882608

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Popular Name: (2S)-2-[[(2S)-2-[[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-pyrrolidine-3-carbonyl]amino]-4-me (2S)-2-[[(2S)-2-[[(3R)-1-(2,3-di…

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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) -1.12 5.76 -50.03 2 10 -1 137 446.48 8 ↓

Analogs

12882601
12882601
12882608
12882608

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Popular Name: (2S)-2-[[(2S)-2-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-pyrrolidine-3-carbonyl]amino]-4-me (2S)-2-[[(2S)-2-[[(3S)-1-(2,3-di…

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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) -1.12 5.85 -52.64 2 10 -1 137 446.48 8 ↓

Parameters Provided:

ring.id = 12271
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 = 12271 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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