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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)-3-phenyl-3-[[(3S)-tetrahydropyran-3-yl]methylamino]propanenitrile (3R)-3-phenyl-3-[[(3S)-tetrahydr…

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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) 0.99 7.21 -47.22 2 3 1 50 245.346 5 ↓
Mid Mid (pH 6-8) 0.99 6.08 -6.63 1 3 0 45 244.338 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-phenyl-3-[[(3S)-tetrahydropyran-3-yl]methylamino]propanenitrile (3S)-3-phenyl-3-[[(3S)-tetrahydr…

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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) 0.99 7.23 -46.78 2 3 1 50 245.346 5 ↓
Mid Mid (pH 6-8) 0.99 6.07 -6.06 1 3 0 45 244.338 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-phenyl-3-[[(3R)-tetrahydropyran-3-yl]methylamino]propanenitrile (3R)-3-phenyl-3-[[(3R)-tetrahydr…

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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) 0.99 7.22 -46.98 2 3 1 50 245.346 5 ↓
Mid Mid (pH 6-8) 0.99 5.97 -6.8 1 3 0 45 244.338 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-phenyl-3-[[(3R)-tetrahydropyran-3-yl]methylamino]propanenitrile (3S)-3-phenyl-3-[[(3R)-tetrahydr…

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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) 0.99 7.22 -46.96 2 3 1 50 245.346 5 ↓
Mid Mid (pH 6-8) 0.99 5.96 -6.22 1 3 0 45 244.338 5 ↓

Analogs

13719840
13719840
13727074
13727074
2178138
2178138

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Popular Name: 1-(5-bromo-2-prop-2-ynoxy-phenyl)-N-[[(3S)-tetrahydropyran-3-yl]methyl]methanamine 1-(5-bromo-2-prop-2-ynoxy-phenyl…

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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) 3.21 7.67 -40.59 2 3 1 35 339.253 6 ↓

Analogs

13719840
13719840
13727074
13727074
2178138
2178138

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(5-bromo-2-prop-2-ynoxy-phenyl)-N-[[(3R)-tetrahydropyran-3-yl]methyl]methanamine 1-(5-bromo-2-prop-2-ynoxy-phenyl…

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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) 3.21 7.66 -40.48 2 3 1 35 339.253 6 ↓

Analogs

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Popular Name: (1S)-1-(2,4-dibromophenyl)-N-[[(3S)-tetrahydropyran-3-yl]methyl]ethanamine (1S)-1-(2,4-dibromophenyl)-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) 4.36 7.98 -43.93 2 2 1 26 378.128 4 ↓
Hi High (pH 8-9.5) 4.36 6.95 -2.38 1 2 0 21 377.12 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2,4-dibromophenyl)-N-[[(3S)-tetrahydropyran-3-yl]methyl]ethanamine (1R)-1-(2,4-dibromophenyl)-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) 4.36 7.98 -43.82 2 2 1 26 378.128 4 ↓
Hi High (pH 8-9.5) 4.36 7.09 -2.72 1 2 0 21 377.12 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2,4-dibromophenyl)-N-[[(3R)-tetrahydropyran-3-yl]methyl]ethanamine (1S)-1-(2,4-dibromophenyl)-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) 4.36 7.98 -44.06 2 2 1 26 378.128 4 ↓
Hi High (pH 8-9.5) 4.36 6.83 -2.49 1 2 0 21 377.12 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2,4-dibromophenyl)-N-[[(3R)-tetrahydropyran-3-yl]methyl]ethanamine (1R)-1-(2,4-dibromophenyl)-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) 4.36 7.98 -43.69 2 2 1 26 378.128 4 ↓
Hi High (pH 8-9.5) 4.36 6.97 -2.89 1 2 0 21 377.12 4 ↓

Analogs

42256008
42256008

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Popular Name: 1-(2,3-dimethylphenyl)-N-[[(3S)-tetrahydropyran-3-yl]methyl]methanamine 1-(2,3-dimethylphenyl)-N-[[(3S)-…

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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) 3.06 7.33 -42.27 2 2 1 26 234.363 4 ↓

Analogs

42256004
42256004

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,3-dimethylphenyl)-N-[[(3R)-tetrahydropyran-3-yl]methyl]methanamine 1-(2,3-dimethylphenyl)-N-[[(3R)-…

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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) 3.06 7.33 -42.21 2 2 1 26 234.363 4 ↓

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Structural Results Found: (before additional filtering)

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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 = 382358 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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