UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

40050351
40050351

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Popular Name: N-(4-aminocyclohexyl)pyrrolidine-1-sulfonamide N-(4-aminocyclohexyl)pyrrolidine…

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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) -0.33 -0.33 -54.03 4 5 1 77 248.372 3 ↓

Analogs

40050351
40050351
40487974
40487974

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Popular Name: N-[4-(methylamino)cyclohexyl]pyrrolidine-1-sulfonamide N-[4-(methylamino)cyclohexyl]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) 0.58 1.59 -48.77 3 5 1 66 262.399 4 ↓

Analogs

40050351
40050351

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Popular Name: N-[4-(ethylamino)cyclohexyl]pyrrolidine-1-sulfonamide N-[4-(ethylamino)cyclohexyl]pyrr…

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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) 0.96 2.21 -47.98 3 5 1 66 276.426 5 ↓

Analogs

22409906
22409906

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Popular Name: N-[4-(propylamino)cyclohexyl]pyrrolidine-1-sulfonamide N-[4-(propylamino)cyclohexyl]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) 1.46 3.19 -48.73 3 5 1 66 290.453 6 ↓

Analogs

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Popular Name: (3S)-1-[cyclohexyl(methyl)sulfamoyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[cyclohexyl(methyl)sulfam…

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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 5.02 -45.23 0 6 -1 81 303.404 4 ↓

Analogs

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Popular Name: (3R)-1-[cyclohexyl(methyl)sulfamoyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[cyclohexyl(methyl)sulfam…

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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 5.01 -47.6 0 6 -1 81 303.404 4 ↓

Analogs

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Popular Name: (3S)-1-[cyclohexyl(methyl)sulfamoyl]-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-[cyclohexyl(methyl)sulfam…

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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) 1.95 5.5 -44.35 0 6 -1 81 317.431 5 ↓

Analogs

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Popular Name: (3R)-1-[cyclohexyl(methyl)sulfamoyl]-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-[cyclohexyl(methyl)sulfam…

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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) 1.95 5.6 -52.41 0 6 -1 81 317.431 5 ↓

Analogs

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Popular Name: N-cyclohexyl-N-prop-2-ynyl-pyrrolidine-1-sulfonamide N-cyclohexyl-N-prop-2-ynyl-pyrro…

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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) 2.19 5.28 -7.82 0 4 0 41 270.398 4 ↓

Analogs

42716609
42716609
42716610
42716610

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Popular Name: ethyl ethyl

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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) 2.01 4.35 -9.29 1 6 0 76 304.412 6 ↓

Analogs

42716609
42716609
42716610
42716610

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Popular Name: ethyl ethyl

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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) 2.01 4.75 -15.72 1 6 0 76 304.412 6 ↓

Analogs

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Popular Name: (2R)-N-cyclohexyl-2-(hydroxymethyl)-N-methyl-pyrrolidine-1-sulfonamide (2R)-N-cyclohexyl-2-(hydroxymeth…

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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 1.75 -9.49 1 5 0 61 276.402 4 ↓

Parameters Provided:

ring.id = 123559
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 = 123559 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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