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

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1S,2R,4R)-2,4-dimethylcyclohexyl]tetrahydrofuran-3-amine (3R)-N-[(1S,2R,4R)-2,4-dimethylc…

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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) 2.35 5.4 -34.55 2 2 1 26 198.33 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1S,2R,4S)-2,4-dimethylcyclohexyl]tetrahydrofuran-3-amine (3R)-N-[(1S,2R,4S)-2,4-dimethylc…

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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) 2.35 4.99 -36.76 2 2 1 26 198.33 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1R,2R,4R)-2,4-dimethylcyclohexyl]tetrahydrofuran-3-amine (3R)-N-[(1R,2R,4R)-2,4-dimethylc…

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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) 2.35 5.25 -36.43 2 2 1 26 198.33 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1R,2R,4S)-2,4-dimethylcyclohexyl]tetrahydrofuran-3-amine (3R)-N-[(1R,2R,4S)-2,4-dimethylc…

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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) 2.35 5.04 -36.48 2 2 1 26 198.33 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4R)-4-[[(1S,2R,4R)-2,4-dimethylcyclohexyl]amino]tetrahydrofuran-3-ol (3R,4R)-4-[[(1S,2R,4R)-2,4-dimet…

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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 2.3 -32.31 3 3 1 46 214.329 2 ↓
Hi High (pH 8-9.5) 1.44 1.75 -2.83 2 3 0 41 213.321 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4R)-4-[[(1S,2R,4S)-2,4-dimethylcyclohexyl]amino]tetrahydrofuran-3-ol (3R,4R)-4-[[(1S,2R,4S)-2,4-dimet…

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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 2.1 -33.68 3 3 1 46 214.329 2 ↓
Hi High (pH 8-9.5) 1.44 1.15 -2.87 2 3 0 41 213.321 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4R)-4-[[(1R,2R,4R)-2,4-dimethylcyclohexyl]amino]tetrahydrofuran-3-ol (3R,4R)-4-[[(1R,2R,4R)-2,4-dimet…

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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 2.32 -33.54 3 3 1 46 214.329 2 ↓
Hi High (pH 8-9.5) 1.44 1.49 -2.8 2 3 0 41 213.321 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4R)-4-[[(1R,2R,4S)-2,4-dimethylcyclohexyl]amino]tetrahydrofuran-3-ol (3R,4R)-4-[[(1R,2R,4S)-2,4-dimet…

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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 2.1 -33.61 3 3 1 46 214.329 2 ↓
Hi High (pH 8-9.5) 1.44 1.27 -2.78 2 3 0 41 213.321 2 ↓

Analogs

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Popular Name: (3R)-N-(2-chloroethyl)-N-cyclohexyl-tetrahydrofuran-3-amine (3R)-N-(2-chloroethyl)-N-cyclohe…

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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) 2.96 6.9 -35.39 1 2 1 14 232.775 4 ↓
Mid Mid (pH 6-8) 2.96 4.95 -1.62 0 2 0 12 231.767 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-(2-chloroethyl)-N-cyclohexyl-tetrahydrofuran-3-amine (3S)-N-(2-chloroethyl)-N-cyclohe…

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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) 2.96 6.69 -36.78 1 2 1 14 232.775 4 ↓
Mid Mid (pH 6-8) 2.96 4.69 -2.17 0 2 0 12 231.767 4 ↓

Analogs

42580237
42580237
42580240
42580240
42580243
42580243
42580246
42580246

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4R)-4-[(4-propylcyclohexyl)amino]tetrahydrofuran-3-ol (3R,4R)-4-[(4-propylcyclohexyl)a…

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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) 2.21 3.07 -34.67 3 3 1 46 228.356 4 ↓
Hi High (pH 8-9.5) 2.21 1.94 -3.04 2 3 0 41 227.348 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4S)-4-[(4-propylcyclohexyl)amino]tetrahydrofuran-3-ol (3R,4S)-4-[(4-propylcyclohexyl)a…

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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) 2.21 2.62 -40.48 3 3 1 46 228.356 4 ↓
Hi High (pH 8-9.5) 2.21 1.6 -4.21 2 3 0 41 227.348 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4R)-4-[(4-propylcyclohexyl)amino]tetrahydrofuran-3-ol (3S,4R)-4-[(4-propylcyclohexyl)a…

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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) 2.21 2.85 -38.86 3 3 1 46 228.356 4 ↓
Hi High (pH 8-9.5) 2.21 2.03 -3.77 2 3 0 41 227.348 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4S)-4-[(4-propylcyclohexyl)amino]tetrahydrofuran-3-ol (3S,4S)-4-[(4-propylcyclohexyl)a…

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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) 2.21 3.21 -34.13 3 3 1 46 228.356 4 ↓
Hi High (pH 8-9.5) 2.21 2.19 -2.99 2 3 0 41 227.348 4 ↓

Parameters Provided:

ring.id = 391830
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 = 391830 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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