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

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Popular Name: N-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]-1-(3-nitrophenyl)methanamine N-[[(2S)-3,4-dihydro-2H-pyran-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) 2.22 7.41 -55.28 2 5 1 72 249.29 5 ↓
Mid Mid (pH 6-8) 2.22 6 -9.75 1 5 0 67 248.282 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-1-(3-nitrophenyl)methanamine N-[[(2R)-3,4-dihydro-2H-pyran-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) 2.22 7.43 -53.89 2 5 1 72 249.29 5 ↓
Mid Mid (pH 6-8) 2.22 6.09 -7.82 1 5 0 67 248.282 5 ↓

Analogs

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Popular Name: (2S)-2-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methylamino]-2-phenyl-ethanol (2S)-2-[[(2S)-3,4-dihydro-2H-pyr…

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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) 1.84 4.22 -37.91 3 3 1 46 234.319 5 ↓
Hi High (pH 8-9.5) 1.84 3.09 -5.64 2 3 0 41 233.311 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methylamino]-2-phenyl-ethanol (2R)-2-[[(2S)-3,4-dihydro-2H-pyr…

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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) 1.84 4.22 -38.57 3 3 1 46 234.319 5 ↓
Hi High (pH 8-9.5) 1.84 2.98 -5.27 2 3 0 41 233.311 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methylamino]-2-phenyl-ethanol (2S)-2-[[(2R)-3,4-dihydro-2H-pyr…

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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) 1.84 4.25 -38.44 3 3 1 46 234.319 5 ↓
Hi High (pH 8-9.5) 1.84 3.17 -4.9 2 3 0 41 233.311 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methylamino]-2-phenyl-ethanol (2R)-2-[[(2R)-3,4-dihydro-2H-pyr…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.84 4.25 -37.76 3 3 1 46 234.319 5 ↓
Hi High (pH 8-9.5) 1.84 3.07 -4.81 2 3 0 41 233.311 5 ↓

Parameters Provided:

ring.id = 36304
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 = 36304 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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