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

42556078
42556078
42556082
42556082
20260246
20260246
20260364
20260364
35765803
35765803

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N2-cyclopentyl-N2-methyl-tetralin-1,2-diamine (1S,2R)-N2-cyclopentyl-N2-methyl…

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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) 1.35 7.63 -33.76 3 2 1 30 245.39 2 ↓
Mid Mid (pH 6-8) 1.35 7.92 -118.02 4 2 2 32 246.398 2 ↓

Analogs

42556078
42556078
42556082
42556082
20260246
20260246
20260364
20260364
35765803
35765803

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N2-cyclopentyl-N2-methyl-tetralin-1,2-diamine (1S,2S)-N2-cyclopentyl-N2-methyl…

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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) 1.35 7.48 -34.46 3 2 1 30 245.39 2 ↓
Mid Mid (pH 6-8) 1.35 7.79 -123.79 4 2 2 32 246.398 2 ↓

Analogs

19271428
19271428
35765823
35765823
35765825
35765825

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N2-cyclopentyl-6-methoxy-N2-methyl-tetralin-1,2-diamine (1S,2R)-N2-cyclopentyl-6-methoxy…

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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) 1.39 7.15 -128.12 4 3 2 41 276.424 3 ↓
Hi High (pH 8-9.5) 1.39 4.98 -3.29 2 3 0 38 274.408 3 ↓
Mid Mid (pH 6-8) 1.39 6.84 -36.18 3 3 1 40 275.416 3 ↓

Analogs

19271428
19271428
35765823
35765823
35765825
35765825

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N2-cyclopentyl-6-methoxy-N2-methyl-tetralin-1,2-diamine (1S,2S)-N2-cyclopentyl-6-methoxy…

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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) 1.39 7.1 -128.31 4 3 2 41 276.424 3 ↓
Hi High (pH 8-9.5) 1.39 4.72 -3.31 2 3 0 38 274.408 3 ↓
Mid Mid (pH 6-8) 1.39 6.79 -37.02 3 3 1 40 275.416 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[(2S)-tetralin-2-yl]amino]cyclopentanecarbonitrile (1S,2R)-2-[[(2S)-tetralin-2-yl]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) 3.45 9.04 -42.38 2 2 1 40 241.358 2 ↓
Hi High (pH 8-9.5) 3.45 8.06 -6.34 1 2 0 36 240.35 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[(2R)-tetralin-2-yl]amino]cyclopentanecarbonitrile (1S,2R)-2-[[(2R)-tetralin-2-yl]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) 3.45 9.04 -42.68 2 2 1 40 241.358 2 ↓
Hi High (pH 8-9.5) 3.45 7.92 -6.22 1 2 0 36 240.35 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(2S)-tetralin-2-yl]amino]cyclopentanecarbonitrile (1S,2S)-2-[[(2S)-tetralin-2-yl]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) 3.45 8.85 -50.93 2 2 1 40 241.358 2 ↓
Hi High (pH 8-9.5) 3.45 7.73 -7.08 1 2 0 36 240.35 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(2R)-tetralin-2-yl]amino]cyclopentanecarbonitrile (1S,2S)-2-[[(2R)-tetralin-2-yl]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) 3.45 8.87 -51 2 2 1 40 241.358 2 ↓
Hi High (pH 8-9.5) 3.45 7.85 -7.71 1 2 0 36 240.35 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-(cyclopentylamino)tetralin-2-yl]methanol [(2R)-2-(cyclopentylamino)tetral…

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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) 3.24 5.67 -34.57 3 2 1 37 246.374 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-(cyclopentylamino)tetralin-2-yl]methanol [(2S)-2-(cyclopentylamino)tetral…

Find On: PubMed — Wikipedia — Google

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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) 3.24 5.78 -34.76 3 2 1 37 246.374 3 ↓

Parameters Provided:

ring.id = 139871
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 = 139871 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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