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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 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) 3.64 5.65 -10.8 1 7 0 77 390.48 8 ↓
Mid Mid (pH 6-8) 3.64 8.1 -39.56 2 7 1 78 391.488 8 ↓

Analogs

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Popular Name: methyl 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) 3.64 6.02 -10.67 1 7 0 77 390.48 8 ↓
Mid Mid (pH 6-8) 3.64 8.51 -37.27 2 7 1 78 391.488 8 ↓

Analogs

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Popular Name: (2R,3aR,7aR)-1-[2-(benzylamino)-2-oxo-ethyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide (2R,3aR,7aR)-1-[2-(benzylamino)-…

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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) 3.43 5.36 -40.75 4 5 1 77 316.425 5 ↓
Mid Mid (pH 6-8) 3.43 4.15 -15.68 3 5 0 75 315.417 5 ↓

Analogs

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Popular Name: (2R,3aR,7aS)-1-[2-(benzylamino)-2-oxo-ethyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide (2R,3aR,7aS)-1-[2-(benzylamino)-…

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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) 3.43 4.92 -31.75 4 5 1 77 316.425 5 ↓
Mid Mid (pH 6-8) 3.43 2.6 -6.67 3 5 0 75 315.417 5 ↓

Analogs

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Popular Name: (2R,3aR,7aR)-1-[2-[(2-methoxyphenyl)methylamino]-2-oxo-ethyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-ca (2R,3aR,7aR)-1-[2-[(2-methoxyphe…

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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) 3.44 3.92 -33.14 4 6 1 86 346.451 6 ↓
Mid Mid (pH 6-8) 3.44 1.64 -7.49 3 6 0 85 345.443 6 ↓

Analogs

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Popular Name: (2R,3aR,7aS)-1-[2-[(2-methoxyphenyl)methylamino]-2-oxo-ethyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-ca (2R,3aR,7aS)-1-[2-[(2-methoxyphe…

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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) 3.44 4.26 -31.18 4 6 1 86 346.451 6 ↓
Mid Mid (pH 6-8) 3.44 1.93 -7.91 3 6 0 85 345.443 6 ↓

Analogs

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Popular Name: (2R,3aR,7aR)-1-[2-[(2-fluorophenyl)methyl-methyl-amino]-2-oxo-ethyl]-2,3,3a,4,5,6,7,7a-octahydroindo (2R,3aR,7aR)-1-[2-[(2-fluorophen…

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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 7.4 -42.38 3 5 1 68 348.442 5 ↓
Mid Mid (pH 6-8) 3.29 6.14 -21.01 2 5 0 67 347.434 5 ↓

Analogs

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Popular Name: (2R,3aR,7aS)-1-[2-[(2-fluorophenyl)methyl-methyl-amino]-2-oxo-ethyl]-2,3,3a,4,5,6,7,7a-octahydroindo (2R,3aR,7aS)-1-[2-[(2-fluorophen…

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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 7.34 -29.61 3 5 1 68 348.442 5 ↓
Mid Mid (pH 6-8) 3.29 4.98 -8.57 2 5 0 67 347.434 5 ↓

Analogs

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Popular Name: (2R,3aR,7aR)-1-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbox (2R,3aR,7aR)-1-[2-oxo-2-[[(1S)-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) 3.99 6.2 -42.38 4 5 1 77 330.452 5 ↓
Mid Mid (pH 6-8) 3.99 4.99 -16.41 3 5 0 75 329.444 5 ↓

Analogs

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Popular Name: (2R,3aR,7aR)-1-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbox (2R,3aR,7aR)-1-[2-oxo-2-[[(1R)-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) 3.99 5.55 -33.85 4 5 1 77 330.452 5 ↓
Mid Mid (pH 6-8) 3.99 3.16 -6.34 3 5 0 75 329.444 5 ↓

Parameters Provided:

ring.id = 142533
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 = 142533 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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