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

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3aS,7aS)-N-methyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2- (2S,3aS,7aS)-N-methyl-N-[[(2S)-t…

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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) 2.61 5.93 -36.88 2 4 1 46 267.393 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3aS,7aS)-N-methyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2- (2S,3aS,7aS)-N-methyl-N-[[(2R)-t…

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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) 2.61 5.61 -35.92 2 4 1 46 267.393 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3aS,7aS)-N-methyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2- (2R,3aS,7aS)-N-methyl-N-[[(2S)-t…

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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) 2.61 5.81 -32.84 2 4 1 46 267.393 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3aS,7aS)-N-methyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2- (2R,3aS,7aS)-N-methyl-N-[[(2R)-t…

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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) 2.61 5.5 -32.26 2 4 1 46 267.393 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3aS,7aS)-N-ethyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-c (2S,3aS,7aS)-N-ethyl-N-[[(2S)-te…

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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) 2.99 6.84 -36.1 2 4 1 46 281.42 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3aS,7aS)-N-ethyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-c (2S,3aS,7aS)-N-ethyl-N-[[(2R)-te…

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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) 2.99 6.52 -35.34 2 4 1 46 281.42 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3aS,7aS)-N-ethyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-c (2R,3aS,7aS)-N-ethyl-N-[[(2S)-te…

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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) 2.99 6.88 -32.39 2 4 1 46 281.42 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3aS,7aS)-N-ethyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-c (2R,3aS,7aS)-N-ethyl-N-[[(2R)-te…

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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) 2.99 6.28 -36.68 2 4 1 46 281.42 4 ↓

Parameters Provided:

ring.id = 541721
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 = 541721 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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