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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: methyl 4-cyclohexylpyrrolidine-2-carboxylate hydrochloride methyl 4-cyclohexylpyrrolidine-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) 3.64 6.19 -39.03 2 3 1 43 212.313 3 ↓
Mid Mid (pH 6-8) 3.64 5.04 -6.37 1 3 0 38 211.305 3 ↓

Analogs

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Popular Name: methyl 4-cyclohexylpyrrolidine-2-carboxylate hydrochloride methyl 4-cyclohexylpyrrolidine-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) 3.64 6.1 -39.37 2 3 1 43 212.313 3 ↓
Mid Mid (pH 6-8) 3.64 4.71 -3.97 1 3 0 38 211.305 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 4-cyclohexylpyrrolidine-2-carboxylate hydrochloride methyl 4-cyclohexylpyrrolidine-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) 3.64 6.17 -39.44 2 3 1 43 212.313 3 ↓
Mid Mid (pH 6-8) 3.64 4.97 -5.92 1 3 0 38 211.305 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 4-cyclohexylpyrrolidine-2-carboxylate hydrochloride methyl 4-cyclohexylpyrrolidine-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) 3.64 6.21 -38.81 2 3 1 43 212.313 3 ↓
Mid Mid (pH 6-8) 3.64 4.85 -3.76 1 3 0 38 211.305 3 ↓

Analogs

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Popular Name: (3R,4R)-4-cyclohexyl-4-methyl-pyrrolidine-3-carboxylic (3R,4R)-4-cyclohexyl-4-methyl-py…

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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) 2.48 5.93 -55.86 2 3 0 57 211.305 2 ↓

Analogs

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Popular Name: (3R,4S)-4-cyclohexyl-4-methyl-pyrrolidine-3-carboxylic (3R,4S)-4-cyclohexyl-4-methyl-py…

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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) 2.48 5.8 -54.14 2 3 0 57 211.305 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4R)-4-cyclohexyl-4-methyl-pyrrolidine-3-carboxylic (3S,4R)-4-cyclohexyl-4-methyl-py…

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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) 2.48 5.8 -54.13 2 3 0 57 211.305 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4S)-4-cyclohexyl-4-methyl-pyrrolidine-3-carboxylic (3S,4S)-4-cyclohexyl-4-methyl-py…

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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) 2.48 5.97 -49.57 2 3 0 57 211.305 2 ↓

Analogs

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Popular Name: (3R,4S)-4-cyclohexylpyrrolidine-3-carboxylic (3R,4S)-4-cyclohexylpyrrolidine-…

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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) 2.23 5.58 -53.38 2 3 0 57 197.278 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4R)-4-cyclohexylpyrrolidine-3-carboxylic (3R,4R)-4-cyclohexylpyrrolidine-…

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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) 2.23 5.76 -54.79 2 3 0 57 197.278 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4S)-4-cyclohexylpyrrolidine-3-carboxylic (3S,4S)-4-cyclohexylpyrrolidine-…

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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) 2.23 5.81 -50.08 2 3 0 57 197.278 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4R)-4-cyclohexylpyrrolidine-3-carboxylic (3S,4R)-4-cyclohexylpyrrolidine-…

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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) 2.23 5.58 -53.38 2 3 0 57 197.278 2 ↓

Analogs

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Popular Name: (2R,3S)-3-cyclohexyl-2-isobutyl-pyrrolidine (2R,3S)-3-cyclohexyl-2-isobutyl-…

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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) 4.53 7.89 -36.95 2 1 1 17 210.385 3 ↓

Analogs

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Popular Name: (2S,3S)-3-cyclohexyl-2-isobutyl-pyrrolidine (2S,3S)-3-cyclohexyl-2-isobutyl-…

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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) 4.53 8.5 -35.18 2 1 1 17 210.385 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R)-3-cyclohexyl-2-isobutyl-pyrrolidine (2R,3R)-3-cyclohexyl-2-isobutyl-…

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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) 4.53 8.01 -36.27 2 1 1 17 210.385 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-3-cyclohexyl-2-isobutyl-pyrrolidine (2S,3R)-3-cyclohexyl-2-isobutyl-…

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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) 4.53 8.31 -35.74 2 1 1 17 210.385 3 ↓

Parameters Provided:

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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 = 76206 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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