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Analogs

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Popular Name: N-cyclopropyl-2-[[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]acetamide N-cyclopropyl-2-[[(4R)-4,5,6,7-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) 1.16 5.38 -43.38 3 3 1 46 251.375 4 ↓
Mid Mid (pH 6-8) 1.16 4.31 -8.98 2 3 0 41 250.367 4 ↓

Analogs

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Popular Name: N-cyclopropyl-2-[[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]acetamide N-cyclopropyl-2-[[(4S)-4,5,6,7-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) 1.16 5.38 -43.36 3 3 1 46 251.375 4 ↓
Mid Mid (pH 6-8) 1.16 4.2 -9 2 3 0 41 250.367 4 ↓

Analogs

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Popular Name: N-cyclopropyl-N-methyl-2-[[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]acetamide N-cyclopropyl-N-methyl-2-[[(4R)-…

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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) 0.90 7.06 -43.4 2 3 1 37 265.402 4 ↓
Mid Mid (pH 6-8) 0.90 5.87 -9.72 1 3 0 32 264.394 4 ↓

Analogs

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Popular Name: N-cyclopropyl-N-methyl-2-[[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]acetamide N-cyclopropyl-N-methyl-2-[[(4S)-…

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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) 0.90 7.02 -43.36 2 3 1 37 265.402 4 ↓
Mid Mid (pH 6-8) 0.90 5.96 -9.7 1 3 0 32 264.394 4 ↓

Analogs

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Popular Name: N-cyclopropyl-N-ethyl-2-[[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]acetamide N-cyclopropyl-N-ethyl-2-[[(4R)-4…

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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) 1.28 7.8 -42.68 2 3 1 37 279.429 5 ↓
Mid Mid (pH 6-8) 1.28 6.6 -9 1 3 0 32 278.421 5 ↓

Analogs

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Popular Name: N-cyclopropyl-N-ethyl-2-[[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]acetamide N-cyclopropyl-N-ethyl-2-[[(4S)-4…

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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) 1.28 7.77 -42.76 2 3 1 37 279.429 5 ↓
Mid Mid (pH 6-8) 1.28 6.65 -8.84 1 3 0 32 278.421 5 ↓

Analogs

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Popular Name: (2S)-N-cyclopropyl-2-[[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]propanamide (2S)-N-cyclopropyl-2-[[(4R)-4,5,…

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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 5.32 -36.5 3 3 1 46 265.402 4 ↓
Mid Mid (pH 6-8) 0.99 4.76 -7.49 2 3 0 41 264.394 4 ↓

Analogs

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Popular Name: (2R)-N-cyclopropyl-2-[[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]propanamide (2R)-N-cyclopropyl-2-[[(4R)-4,5,…

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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 5.88 -38.91 3 3 1 46 265.402 4 ↓
Mid Mid (pH 6-8) 0.99 4.91 -9.15 2 3 0 41 264.394 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopropyl-2-[[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]propanamide (2S)-N-cyclopropyl-2-[[(4S)-4,5,…

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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 5.91 -38.93 3 3 1 46 265.402 4 ↓
Mid Mid (pH 6-8) 0.99 4.92 -7.81 2 3 0 41 264.394 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclopropyl-2-[[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]propanamide (2R)-N-cyclopropyl-2-[[(4S)-4,5,…

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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 5.36 -36.49 3 3 1 46 265.402 4 ↓
Mid Mid (pH 6-8) 0.99 4.88 -9.25 2 3 0 41 264.394 4 ↓

Parameters Provided:

ring.id = 210602
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 = 210602 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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