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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: 5-(cyclopentylsulfanylmethyl)furan-2-carboxylic 5-(cyclopentylsulfanylmethyl)fur…

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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) 2.90 8.29 -49.53 0 3 -1 53 225.289 4 ↓

Analogs

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Popular Name: 5-(cyclopentylsulfanylmethyl)-2-methyl-furan-3-carboxylic 5-(cyclopentylsulfanylmethyl)-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) 2.81 8.83 -49.04 0 3 -1 53 239.316 4 ↓

Analogs

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Popular Name: 2-(cyclopentylsulfanylmethyl)furan-3-carboxylic 2-(cyclopentylsulfanylmethyl)fur…

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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) 2.59 7.96 -50.83 0 3 -1 53 225.289 4 ↓

Analogs

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Popular Name: 5-(cyclopentylsulfanylmethyl)-3-methyl-furan-2-carboxylic 5-(cyclopentylsulfanylmethyl)-3-…

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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) 3.28 8.89 -50.15 0 3 -1 53 239.316 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(cyclopentylsulfanylmethyl)furan-3-carboxylic 5-(cyclopentylsulfanylmethyl)fur…

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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) 2.59 8.04 -48.54 0 3 -1 53 225.289 4 ↓

Analogs

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Popular Name: (1S,2S)-1-cyclopentylsulfanyl-1-(2-furyl)propan-2-amine (1S,2S)-1-cyclopentylsulfanyl-1-…

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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) 2.28 5.8 -39.18 3 2 1 41 226.365 4 ↓
Hi High (pH 8-9.5) 2.28 5.46 -2.98 2 2 0 39 225.357 4 ↓

Analogs

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Popular Name: (1S,2R)-1-cyclopentylsulfanyl-1-(2-furyl)propan-2-amine (1S,2R)-1-cyclopentylsulfanyl-1-…

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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) 2.28 5.82 -39.96 3 2 1 41 226.365 4 ↓
Hi High (pH 8-9.5) 2.28 5.55 -3.87 2 2 0 39 225.357 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-1-cyclopentylsulfanyl-1-(2-furyl)propan-2-amine (1R,2S)-1-cyclopentylsulfanyl-1-…

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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) 2.28 5.81 -39.59 3 2 1 41 226.365 4 ↓
Hi High (pH 8-9.5) 2.28 5.48 -3.03 2 2 0 39 225.357 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-1-cyclopentylsulfanyl-1-(2-furyl)propan-2-amine (1R,2R)-1-cyclopentylsulfanyl-1-…

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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) 2.28 5.8 -39.25 3 2 1 41 226.365 4 ↓
Hi High (pH 8-9.5) 2.28 5.52 -3.65 2 2 0 39 225.357 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-1-cyclopentylsulfanyl-1-(2-furyl)butan-2-amine (1S,2S)-1-cyclopentylsulfanyl-1-…

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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) 2.82 7.07 -33.41 3 2 1 41 240.392 5 ↓
Hi High (pH 8-9.5) 2.82 6.47 -2.93 2 2 0 39 239.384 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-1-cyclopentylsulfanyl-1-(2-furyl)butan-2-amine (1S,2R)-1-cyclopentylsulfanyl-1-…

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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) 2.82 6.82 -39.58 3 2 1 41 240.392 5 ↓
Hi High (pH 8-9.5) 2.82 6.52 -3.13 2 2 0 39 239.384 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-1-cyclopentylsulfanyl-1-(2-furyl)butan-2-amine (1R,2S)-1-cyclopentylsulfanyl-1-…

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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) 2.82 6.5 -39.3 3 2 1 41 240.392 5 ↓
Hi High (pH 8-9.5) 2.82 6.43 -4.22 2 2 0 39 239.384 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-1-cyclopentylsulfanyl-1-(2-furyl)butan-2-amine (1R,2R)-1-cyclopentylsulfanyl-1-…

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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) 2.82 6.8 -33.13 3 2 1 41 240.392 5 ↓
Hi High (pH 8-9.5) 2.82 6.28 -2.94 2 2 0 39 239.384 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-1-cyclopentylsulfanyl-1-(5-methyl-2-furyl)propan-2-amine (1R,2R)-1-cyclopentylsulfanyl-1-…

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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) 2.50 7 -36.03 3 2 1 41 240.392 4 ↓
Hi High (pH 8-9.5) 2.50 6.26 -3.25 2 2 0 39 239.384 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-1-cyclopentylsulfanyl-1-(5-methyl-2-furyl)propan-2-amine (1S,2R)-1-cyclopentylsulfanyl-1-…

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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) 2.50 7.08 -33.97 3 2 1 41 240.392 4 ↓
Hi High (pH 8-9.5) 2.50 6.51 -3.51 2 2 0 39 239.384 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-1-cyclopentylsulfanyl-1-(5-methyl-2-furyl)propan-2-amine (1R,2S)-1-cyclopentylsulfanyl-1-…

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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) 2.50 6.65 -39.59 3 2 1 41 240.392 4 ↓
Hi High (pH 8-9.5) 2.50 6.45 -4.7 2 2 0 39 239.384 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-1-cyclopentylsulfanyl-1-(5-methyl-2-furyl)propan-2-amine (1S,2S)-1-cyclopentylsulfanyl-1-…

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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) 2.50 7.08 -33.98 3 2 1 41 240.392 4 ↓
Hi High (pH 8-9.5) 2.50 6.5 -3.24 2 2 0 39 239.384 4 ↓

Analogs

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Popular Name: (2R)-2-cyclopentylsulfanyl-2-(2-furyl)ethanamine (2R)-2-cyclopentylsulfanyl-2-(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) 1.88 5.29 -44.56 3 2 1 41 212.338 4 ↓
Hi High (pH 8-9.5) 1.88 5.62 -5.04 2 2 0 39 211.33 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-cyclopentylsulfanyl-2-(2-furyl)ethanamine (2S)-2-cyclopentylsulfanyl-2-(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) 1.88 5.39 -43.23 3 2 1 41 212.338 4 ↓
Hi High (pH 8-9.5) 1.88 5.03 -3.31 2 2 0 39 211.33 4 ↓

Analogs

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Popular Name: (2R)-2-cyclopentylsulfanyl-2-(5-methyl-2-furyl)ethanamine (2R)-2-cyclopentylsulfanyl-2-(5-…

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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) 2.10 6.11 -44.57 3 2 1 41 226.365 4 ↓
Hi High (pH 8-9.5) 2.10 6.44 -5.33 2 2 0 39 225.357 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-cyclopentylsulfanyl-2-(5-methyl-2-furyl)ethanamine (2S)-2-cyclopentylsulfanyl-2-(5-…

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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) 2.10 6.22 -43.32 3 2 1 41 226.365 4 ↓
Hi High (pH 8-9.5) 2.10 5.85 -3.5 2 2 0 39 225.357 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-1-cyclopentylsulfanyl-1-(5-methyl-2-furyl)butan-2-amine (1S,2S)-1-cyclopentylsulfanyl-1-…

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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) 3.04 7.61 -38.77 3 2 1 41 254.419 5 ↓
Hi High (pH 8-9.5) 3.04 7.29 -3.08 2 2 0 39 253.411 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-1-cyclopentylsulfanyl-1-(5-methyl-2-furyl)butan-2-amine (1S,2R)-1-cyclopentylsulfanyl-1-…

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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) 3.04 7.63 -39.86 3 2 1 41 254.419 5 ↓
Hi High (pH 8-9.5) 3.04 7.35 -3.41 2 2 0 39 253.411 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-1-cyclopentylsulfanyl-1-(5-methyl-2-furyl)butan-2-amine (1R,2S)-1-cyclopentylsulfanyl-1-…

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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) 3.04 7.51 -41.67 3 2 1 41 254.419 5 ↓
Hi High (pH 8-9.5) 3.04 7.25 -4.61 2 2 0 39 253.411 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-1-cyclopentylsulfanyl-1-(5-methyl-2-furyl)butan-2-amine (1R,2R)-1-cyclopentylsulfanyl-1-…

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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) 3.04 7.4 -38.78 3 2 1 41 254.419 5 ↓
Hi High (pH 8-9.5) 3.04 7.1 -3.13 2 2 0 39 253.411 5 ↓

Parameters Provided:

ring.id = 284176
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 = 284176 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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