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Analogs

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Popular Name: (3S)-N-cyclopropyl-5-propyl-2,3-dihydrobenzofuran-3-amine (3S)-N-cyclopropyl-5-propyl-2,3-…

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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) 3.20 7.12 -35.36 2 2 1 26 218.32 4 ↓
Hi High (pH 8-9.5) 3.20 6.03 -3.43 1 2 0 21 217.312 4 ↓

Analogs

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Popular Name: (3R)-N-cyclopropyl-5-propyl-2,3-dihydrobenzofuran-3-amine (3R)-N-cyclopropyl-5-propyl-2,3-…

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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) 3.20 7.1 -35.54 2 2 1 26 218.32 4 ↓
Hi High (pH 8-9.5) 3.20 6 -3.53 1 2 0 21 217.312 4 ↓

Analogs

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Popular Name: (3S)-N-cyclopropyl-6,7-difluoro-2,3-dihydrobenzofuran-3-amine (3S)-N-cyclopropyl-6,7-difluoro-…

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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) 2.15 5.03 -46.29 2 2 1 26 212.219 2 ↓
Hi High (pH 8-9.5) 2.15 3.94 -6.58 1 2 0 21 211.211 2 ↓

Analogs

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Popular Name: (3R)-N-cyclopropyl-6,7-difluoro-2,3-dihydrobenzofuran-3-amine (3R)-N-cyclopropyl-6,7-difluoro-…

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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) 2.15 5.01 -46.66 2 2 1 26 212.219 2 ↓
Hi High (pH 8-9.5) 2.15 3.92 -7.63 1 2 0 21 211.211 2 ↓

Analogs

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Popular Name: (3R)-N-cyclopropyl-4,6-difluoro-2,3-dihydrobenzofuran-3-amine (3R)-N-cyclopropyl-4,6-difluoro-…

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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) 2.15 5.02 -35.81 2 2 1 26 212.219 2 ↓
Hi High (pH 8-9.5) 2.15 3.93 -2.46 1 2 0 21 211.211 2 ↓

Analogs

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Popular Name: (3S)-N-cyclopropyl-4,6-difluoro-2,3-dihydrobenzofuran-3-amine (3S)-N-cyclopropyl-4,6-difluoro-…

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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) 2.15 5.04 -35.94 2 2 1 26 212.219 2 ↓
Hi High (pH 8-9.5) 2.15 3.95 -3.38 1 2 0 21 211.211 2 ↓

Analogs

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Popular Name: (3R)-4-bromo-7-chloro-N-cyclopropyl-2,3-dihydrobenzofuran-3-amine (3R)-4-bromo-7-chloro-N-cyclopro…

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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) 3.31 6 -33.99 2 2 1 26 289.58 2 ↓
Mid Mid (pH 6-8) 3.31 4.87 -3.43 1 2 0 21 288.572 2 ↓

Analogs

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Popular Name: (3S)-4-bromo-7-chloro-N-cyclopropyl-2,3-dihydrobenzofuran-3-amine (3S)-4-bromo-7-chloro-N-cyclopro…

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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) 3.31 6 -33.98 2 2 1 26 289.58 2 ↓
Mid Mid (pH 6-8) 3.31 4.92 -3.51 1 2 0 21 288.572 2 ↓

Analogs

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Popular Name: (3S)-3-(cyclopropylamino)-6-hydroxy-2H-benzofuran-3-carboxylic (3S)-3-(cyclopropylamino)-6-hydr…

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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) 0.73 2.36 -36.56 3 5 0 86 235.239 3 ↓

Analogs

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Popular Name: (3R)-3-(cyclopropylamino)-6-hydroxy-2H-benzofuran-3-carboxylic (3R)-3-(cyclopropylamino)-6-hydr…

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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) 0.73 2.23 -28.71 3 5 0 86 235.239 3 ↓

Analogs

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Popular Name: (3R)-3-(cyclopropylamino)-3-(hydroxymethyl)-2H-benzofuran-6-ol (3R)-3-(cyclopropylamino)-3-(hyd…

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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) 0.85 -0.64 -43.02 4 4 1 66 222.264 3 ↓

Analogs

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Popular Name: (3S)-3-(cyclopropylamino)-3-(hydroxymethyl)-2H-benzofuran-6-ol (3S)-3-(cyclopropylamino)-3-(hyd…

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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) 0.85 -0.86 -38.82 4 4 1 66 222.264 3 ↓

Parameters Provided:

ring.id = 43893
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 = 43893 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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