UCSF
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Analogs

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Popular Name: 6-amino-N-ethyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]-1H-indole-3-carboxamide 6-amino-N-ethyl-N-[[(3S)-tetrahy…

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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) 0.97 4.07 -16.86 3 5 0 71 287.363 4 ↓

Analogs

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Popular Name: 6-amino-N-ethyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]-1H-indole-3-carboxamide 6-amino-N-ethyl-N-[[(3R)-tetrahy…

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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) 0.97 4.31 -14.82 3 5 0 71 287.363 4 ↓

Analogs

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Popular Name: 5-amino-N-[[(3S)-tetrahydrofuran-3-yl]methyl]-1H-indole-3-carboxamide 5-amino-N-[[(3S)-tetrahydrofuran…

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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) 0.82 1.61 -17.54 4 5 0 80 259.309 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-[[(3R)-tetrahydrofuran-3-yl]methyl]-1H-indole-3-carboxamide 5-amino-N-[[(3R)-tetrahydrofuran…

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) 0.82 1.61 -16.89 4 5 0 80 259.309 3 ↓

Analogs

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Popular Name: 5-amino-N-ethyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]-1H-indole-3-carboxamide 5-amino-N-ethyl-N-[[(3S)-tetrahy…

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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) 0.97 4.06 -18.18 3 5 0 71 287.363 4 ↓

Analogs

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Popular Name: 5-amino-N-ethyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]-1H-indole-3-carboxamide 5-amino-N-ethyl-N-[[(3R)-tetrahy…

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) 0.97 4.31 -16.1 3 5 0 71 287.363 4 ↓

Analogs

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Popular Name: N-ethyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]-1H-indole-3-carboxamide N-ethyl-N-[[(3S)-tetrahydrofuran…

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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) 1.92 6.2 -17.09 1 4 0 45 272.348 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]-1H-indole-3-carboxamide N-ethyl-N-[[(3R)-tetrahydrofuran…

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) 1.92 6.45 -15 1 4 0 45 272.348 4 ↓

Parameters Provided:

ring.id = 15088
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 = 15088 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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