UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12031586
12031586
12031588
12031588
12031589
12031589

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Popular Name: N-[(3R,4S)-4-hydroxytetrahydrothiophen-3-yl]cyclohexanecarboxamide N-[(3R,4S)-4-hydroxytetrahydroth…

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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) 1.44 2.69 -8.24 2 3 0 49 229.345 2 ↓

Analogs

12031588
12031588
12031589
12031589
12031584
12031584

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R,4R)-4-hydroxytetrahydrothiophen-3-yl]cyclohexanecarboxamide N-[(3R,4R)-4-hydroxytetrahydroth…

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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) 1.44 2.4 -9.04 2 3 0 49 229.345 2 ↓

Analogs

12031589
12031589
12031584
12031584
12031586
12031586

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S,4S)-4-hydroxytetrahydrothiophen-3-yl]cyclohexanecarboxamide N-[(3S,4S)-4-hydroxytetrahydroth…

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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) 1.44 2.42 -11.32 2 3 0 49 229.345 2 ↓

Analogs

12031584
12031584
12031586
12031586
12031588
12031588

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S,4R)-4-hydroxytetrahydrothiophen-3-yl]cyclohexanecarboxamide N-[(3S,4R)-4-hydroxytetrahydroth…

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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) 1.44 2.91 -7.92 2 3 0 49 229.345 2 ↓

Analogs

37830638
37830638
37830639
37830639
37830640
37830640
37830641
37830641
37830657
37830657

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[methyl-[(3R)-tetrahydrothiophen-3-yl]carbamoyl]cyclohexanecarboxylic (1S,2R)-2-[methyl-[(3R)-tetrahyd…

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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 7.48 -55.49 0 4 -1 60 270.374 3 ↓
Lo Low (pH 4.5-6) 1.71 5.96 -11.33 1 4 0 58 271.382 3 ↓

Analogs

37830638
37830638
37830639
37830639
37830640
37830640
37830641
37830641
37830657
37830657

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[methyl-[(3S)-tetrahydrothiophen-3-yl]carbamoyl]cyclohexanecarboxylic (1S,2R)-2-[methyl-[(3S)-tetrahyd…

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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 7.48 -57.28 0 4 -1 60 270.374 3 ↓
Lo Low (pH 4.5-6) 1.71 6.05 -11.56 1 4 0 58 271.382 3 ↓

Analogs

37830638
37830638
37830639
37830639
37830640
37830640
37830641
37830641
37830657
37830657

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[methyl-[(3R)-tetrahydrothiophen-3-yl]carbamoyl]cyclohexanecarboxylic (1S,2S)-2-[methyl-[(3R)-tetrahyd…

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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 8.44 -56.76 0 4 -1 60 270.374 3 ↓
Lo Low (pH 4.5-6) 1.71 6.41 -10.86 1 4 0 58 271.382 3 ↓

Analogs

37830638
37830638
37830639
37830639
37830640
37830640
37830641
37830641
37830657
37830657

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[methyl-[(3S)-tetrahydrothiophen-3-yl]carbamoyl]cyclohexanecarboxylic (1S,2S)-2-[methyl-[(3S)-tetrahyd…

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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 8.52 -58.05 0 4 -1 60 270.374 3 ↓
Lo Low (pH 4.5-6) 1.71 6.48 -11.57 1 4 0 58 271.382 3 ↓

Analogs

37810465
37810465
37810466
37810466
37810545
37810545
37810546
37810546
37810547
37810547

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Popular Name: 1-amino-N-methyl-N-[(3R)-tetrahydrothiophen-3-yl]cyclohexanecarboxamide 1-amino-N-methyl-N-[(3R)-tetrahy…

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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) 1.70 4.28 -49.83 3 3 1 48 243.396 2 ↓
Mid Mid (pH 6-8) 1.70 3.98 -6.05 2 3 0 46 242.388 2 ↓

Analogs

37810465
37810465
37810466
37810466
37810545
37810545
37810546
37810546
37810547
37810547

Draw Identity 99% 90% 80% 70%

Popular Name: 1-amino-N-methyl-N-[(3S)-tetrahydrothiophen-3-yl]cyclohexanecarboxamide 1-amino-N-methyl-N-[(3S)-tetrahy…

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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) 1.70 4.33 -49.68 3 3 1 48 243.396 2 ↓
Mid Mid (pH 6-8) 1.70 4.06 -6.28 2 3 0 46 242.388 2 ↓

Analogs

37174360
37174360
37174361
37174361
37174362
37174362
37174363
37174363
35280732
35280732

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[2-methoxyethyl-[(3R)-tetrahydrothiophen-3-yl]carbamoyl]cyclohexanecarboxylic (1S,2R)-2-[2-methoxyethyl-[(3R)-…

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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) 1.69 8.18 -59.31 0 5 -1 70 314.427 6 ↓
Lo Low (pH 4.5-6) 1.69 6.61 -12.01 1 5 0 67 315.435 6 ↓

Analogs

37174360
37174360
37174361
37174361
37174362
37174362
37174363
37174363
35280732
35280732

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[2-methoxyethyl-[(3S)-tetrahydrothiophen-3-yl]carbamoyl]cyclohexanecarboxylic (1S,2R)-2-[2-methoxyethyl-[(3S)-…

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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) 1.69 7.89 -59.68 0 5 -1 70 314.427 6 ↓
Lo Low (pH 4.5-6) 1.69 6.28 -12.33 1 5 0 67 315.435 6 ↓

Analogs

37174360
37174360
37174361
37174361
37174362
37174362
37174363
37174363
35280732
35280732

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[2-methoxyethyl-[(3R)-tetrahydrothiophen-3-yl]carbamoyl]cyclohexanecarboxylic (1S,2S)-2-[2-methoxyethyl-[(3R)-…

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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) 1.69 9.08 -56.87 0 5 -1 70 314.427 6 ↓
Lo Low (pH 4.5-6) 1.69 6.61 -11.76 1 5 0 67 315.435 6 ↓

Analogs

37174360
37174360
37174361
37174361
37174362
37174362
37174363
37174363
35280732
35280732

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[2-methoxyethyl-[(3S)-tetrahydrothiophen-3-yl]carbamoyl]cyclohexanecarboxylic (1S,2S)-2-[2-methoxyethyl-[(3S)-…

Find On: PubMed — Wikipedia — Google

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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) 1.69 8.81 -55.76 0 5 -1 70 314.427 6 ↓
Lo Low (pH 4.5-6) 1.69 6.5 -11.5 1 5 0 67 315.435 6 ↓

Parameters Provided:

ring.id = 80972
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 = 80972 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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