UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37826359
37826359
37826360
37826360
37827214
37827214
37827215
37827215
37827316
37827316

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Popular Name: 1-acetamido-N-[[(3S)-tetrahydrofuran-3-yl]methyl]cyclohexanecarboxamide 1-acetamido-N-[[(3S)-tetrahydrof…

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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) 1.03 2.9 -17.52 2 5 0 67 268.357 4 ↓

Analogs

37826359
37826359
37826360
37826360
37827214
37827214
37827215
37827215
37827316
37827316

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Popular Name: 1-acetamido-N-[[(3R)-tetrahydrofuran-3-yl]methyl]cyclohexanecarboxamide 1-acetamido-N-[[(3R)-tetrahydrof…

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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) 1.03 2.9 -16.1 2 5 0 67 268.357 4 ↓

Analogs

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Popular Name: 1-(methanesulfonamido)-N-[[(3S)-tetrahydrofuran-3-yl]methyl]cyclohexanecarboxamide 1-(methanesulfonamido)-N-[[(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) 1.04 0.2 -14.76 2 6 0 85 304.412 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(methanesulfonamido)-N-[[(3R)-tetrahydrofuran-3-yl]methyl]cyclohexanecarboxamide 1-(methanesulfonamido)-N-[[(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) 1.04 0.98 -13.34 2 6 0 85 304.412 5 ↓

Analogs

48978597
48978597
48978599
48978599
37468793
37468793
35661352
35661352

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Popular Name: 1-amino-N-ethyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]cyclohexanecarboxamide 1-amino-N-ethyl-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) 1.91 3.99 -49.21 3 4 1 57 255.382 4 ↓
Mid Mid (pH 6-8) 1.91 4.25 -9.77 2 4 0 56 254.374 4 ↓

Analogs

48978597
48978597
48978599
48978599
37468793
37468793
35661352
35661352

Draw Identity 99% 90% 80% 70%

Popular Name: 1-amino-N-ethyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]cyclohexanecarboxamide 1-amino-N-ethyl-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) 1.91 4 -51.33 3 4 1 57 255.382 4 ↓
Mid Mid (pH 6-8) 1.91 3.77 -7.62 2 4 0 56 254.374 4 ↓

Analogs

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Popular Name: 4-amino-N-ethyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]cyclohexanecarboxamide 4-amino-N-ethyl-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) 0.70 3.74 -41.55 3 4 1 57 255.382 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-ethyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]cyclohexanecarboxamide 4-amino-N-ethyl-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) 0.70 3.91 -54.85 3 4 1 57 255.382 4 ↓

Analogs

11949171
11949171
11949167
11949167
11949160
11949160

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Popular Name: (1S,2R)-2-[ethyl-[[(3S)-tetrahydrofuran-3-yl]methyl]carbamoyl]cyclohexanecarboxylic (1S,2R)-2-[ethyl-[[(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) 1.93 7.01 -61.46 0 5 -1 70 282.36 5 ↓
Lo Low (pH 4.5-6) 1.93 5.4 -12.74 1 5 0 67 283.368 5 ↓

Analogs

11949171
11949171
11949167
11949167
11949160
11949160

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[ethyl-[[(3R)-tetrahydrofuran-3-yl]methyl]carbamoyl]cyclohexanecarboxylic (1S,2R)-2-[ethyl-[[(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) 1.93 6.9 -60.39 0 5 -1 70 282.36 5 ↓
Lo Low (pH 4.5-6) 1.93 5.28 -12.69 1 5 0 67 283.368 5 ↓

Analogs

11949171
11949171
11949167
11949167
11949160
11949160

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[ethyl-[[(3S)-tetrahydrofuran-3-yl]methyl]carbamoyl]cyclohexanecarboxylic (1S,2S)-2-[ethyl-[[(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) 1.93 7.54 -59.59 0 5 -1 70 282.36 5 ↓
Lo Low (pH 4.5-6) 1.93 5.08 -12.14 1 5 0 67 283.368 5 ↓

Analogs

11949171
11949171
11949167
11949167
11949160
11949160

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.93 7.67 -56.9 0 5 -1 70 282.36 5 ↓
Lo Low (pH 4.5-6) 1.93 5.05 -12.13 1 5 0 67 283.368 5 ↓

Parameters Provided:

ring.id = 543071
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 = 543071 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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