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Popular Name: N-[(2S)-2-(azepan-1-yl)-3-methyl-butyl]cyclopropanamine N-[(2S)-2-(azepan-1-yl)-3-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) 3.02 8.15 -111.54 3 2 2 21 226.408 5 ↓

Analogs

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Popular Name: N-[(2R)-2-(azepan-1-yl)-3-methyl-butyl]cyclopropanamine N-[(2R)-2-(azepan-1-yl)-3-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) 3.02 8.82 -107.5 3 2 2 21 226.408 5 ↓

Analogs

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Popular Name: N-[(2S)-2-(azepan-1-yl)propyl]cyclopropanamine N-[(2S)-2-(azepan-1-yl)propyl]cy…

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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) 2.24 7.3 -106.4 3 2 2 21 198.354 4 ↓

Analogs

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Popular Name: N-[(2R)-2-(azepan-1-yl)propyl]cyclopropanamine N-[(2R)-2-(azepan-1-yl)propyl]cy…

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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) 2.24 7.29 -109.9 3 2 2 21 198.354 4 ↓

Analogs

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Popular Name: N-[(2S)-2-(azepan-1-yl)butyl]cyclopropanamine N-[(2S)-2-(azepan-1-yl)butyl]cyc…

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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) 2.77 7.86 -111.23 3 2 2 21 212.381 5 ↓

Analogs

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Popular Name: N-[(2R)-2-(azepan-1-yl)butyl]cyclopropanamine N-[(2R)-2-(azepan-1-yl)butyl]cyc…

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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) 2.77 8.35 -107.13 3 2 2 21 212.381 5 ↓

Analogs

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Popular Name: N-[2-[(2R)-2-methylazepan-1-yl]ethyl]cyclopropanamine N-[2-[(2R)-2-methylazepan-1-yl]e…

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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) 2.24 7.03 -106.46 3 2 2 21 198.354 4 ↓
Hi High (pH 8-9.5) 2.24 5.74 -29.88 2 2 1 16 197.346 4 ↓
Mid Mid (pH 6-8) 2.24 4.99 -35.36 2 2 1 20 197.346 4 ↓

Analogs

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Popular Name: N-[2-[(2S)-2-methylazepan-1-yl]ethyl]cyclopropanamine N-[2-[(2S)-2-methylazepan-1-yl]e…

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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) 2.24 7.03 -106.37 3 2 2 21 198.354 4 ↓
Hi High (pH 8-9.5) 2.24 5.74 -29.59 2 2 1 16 197.346 4 ↓
Mid Mid (pH 6-8) 2.24 5 -35.29 2 2 1 20 197.346 4 ↓

Analogs

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Popular Name: (2S)-2-(cyclopropylamino)-3-[(2R)-2-methylazepan-1-yl]propanenitrile (2S)-2-(cyclopropylamino)-3-[(2R…

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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) 2.01 6.54 -37.56 2 3 1 40 222.356 4 ↓
Hi High (pH 8-9.5) 2.01 4.34 -3.27 1 3 0 39 221.348 4 ↓

Analogs

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Popular Name: (2S)-2-(cyclopropylamino)-3-[(2S)-2-methylazepan-1-yl]propanenitrile (2S)-2-(cyclopropylamino)-3-[(2S…

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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) 2.01 7.42 -37.38 2 3 1 40 222.356 4 ↓
Hi High (pH 8-9.5) 2.01 5.43 -3.2 1 3 0 39 221.348 4 ↓

Analogs

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Popular Name: N-[(2S)-2-[(2R)-2-methylazepan-1-yl]propyl]cyclopropanamine N-[(2S)-2-[(2R)-2-methylazepan-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) 2.57 7.91 -100.5 3 2 2 21 212.381 4 ↓
Hi High (pH 8-9.5) 2.57 7.32 -27.22 2 2 1 16 211.373 4 ↓
Mid Mid (pH 6-8) 2.57 6.06 -32.97 2 2 1 20 211.373 4 ↓

Analogs

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Popular Name: N-[(2S)-2-[(2S)-2-methylazepan-1-yl]propyl]cyclopropanamine N-[(2S)-2-[(2S)-2-methylazepan-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) 2.57 7.59 -105.16 3 2 2 21 212.381 4 ↓
Hi High (pH 8-9.5) 2.57 6.29 -27.45 2 2 1 16 211.373 4 ↓
Mid Mid (pH 6-8) 2.57 5.96 -32.78 2 2 1 20 211.373 4 ↓

Parameters Provided:

ring.id = 225743
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 = 225743 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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