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

52475631
52475631
35765343
35765343
35765344
35765344

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-cyclopentyl-N-methyl-1-(1-naphthyl)ethane-1,2-diamine (1R)-N-cyclopentyl-N-methyl-1-(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) 3.29 8.98 -130.63 4 2 2 32 270.42 4 ↓
Hi High (pH 8-9.5) 3.29 8.87 -31.31 3 2 1 30 269.412 4 ↓
Mid Mid (pH 6-8) 3.29 7.12 -49.12 3 2 1 31 269.412 4 ↓

Analogs

52475631
52475631
35765343
35765343
35765344
35765344

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-cyclopentyl-N-methyl-1-(1-naphthyl)ethane-1,2-diamine (1S)-N-cyclopentyl-N-methyl-1-(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) 3.29 8.42 -133.68 4 2 2 32 270.42 4 ↓
Hi High (pH 8-9.5) 3.29 8.1 -31.43 3 2 1 30 269.412 4 ↓
Mid Mid (pH 6-8) 3.29 7.18 -48.91 3 2 1 31 269.412 4 ↓

Analogs

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Popular Name: (1S,2R)-2-(1-naphthylmethylamino)cyclopentanecarbonitrile (1S,2R)-2-(1-naphthylmethylamino…

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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) 3.71 8.49 -8.86 1 2 0 36 250.345 3 ↓
Mid Mid (pH 6-8) 3.71 9.7 -45.8 2 2 1 40 251.353 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(1-naphthylmethylamino)cyclopentanecarbonitrile (1S,2S)-2-(1-naphthylmethylamino…

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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) 3.71 8.31 -7.86 1 2 0 36 250.345 3 ↓
Mid Mid (pH 6-8) 3.71 9.5 -50.66 2 2 1 40 251.353 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(1-naphthylmethylamino)cyclopentanecarbonitrile (1R,2R)-2-(1-naphthylmethylamino…

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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) 3.71 8.31 -6.6 1 2 0 36 250.345 3 ↓
Mid Mid (pH 6-8) 3.71 9.55 -52.1 2 2 1 40 251.353 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(1-naphthylmethylamino)cyclopentanecarbonitrile (1R,2S)-2-(1-naphthylmethylamino…

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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) 3.71 8.69 -9.15 1 2 0 36 250.345 3 ↓
Mid Mid (pH 6-8) 3.71 9.66 -47.21 2 2 1 40 251.353 3 ↓

Analogs

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Popular Name: 4-cyano-N-cyclopentyl-N-(1-naphthylmethyl)butane-1-sulfonamide 4-cyano-N-cyclopentyl-N-(1-napht…

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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) 3.91 10.11 -13.21 0 4 0 61 370.518 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(cyclopentylamino)-2-(1-naphthyl)propan-1-ol (2S)-2-(cyclopentylamino)-2-(1-n…

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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) 4.05 6.69 -35.57 3 2 1 37 270.396 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(cyclopentylamino)-2-(1-naphthyl)propan-1-ol (2R)-2-(cyclopentylamino)-2-(1-n…

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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) 4.05 6.98 -35.45 3 2 1 37 270.396 4 ↓

Analogs

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Popular Name: (2S)-2-(cyclopentylamino)-2-(1-naphthyl)ethanol (2S)-2-(cyclopentylamino)-2-(1-n…

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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) 3.61 6.53 -37.82 3 2 1 37 256.369 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(cyclopentylamino)-2-(1-naphthyl)ethanol (2R)-2-(cyclopentylamino)-2-(1-n…

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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) 3.61 6.47 -37.76 3 2 1 37 256.369 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(cyclopentylamino)-2-(2-methoxy-1-naphthyl)ethanol (2S)-2-(cyclopentylamino)-2-(2-m…

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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) 3.62 7.64 -31.01 3 3 1 46 286.395 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(cyclopentylamino)-2-(2-methoxy-1-naphthyl)ethanol (2R)-2-(cyclopentylamino)-2-(2-m…

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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) 3.62 7.6 -31.49 3 3 1 46 286.395 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-N-(1-naphthylmethyl)ethane-1,2-diamine N-cyclopentyl-N-(1-naphthylmethy…

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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) 3.11 8.73 -129.71 4 2 2 32 270.42 5 ↓
Mid Mid (pH 6-8) 3.11 6.36 -42.32 3 2 1 31 269.412 5 ↓

Parameters Provided:

ring.id = 139816
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 = 139816 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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