UCSF
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Analogs

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Popular Name: N-(4-thiomorpholinobutyl)cyclopropanamine N-(4-thiomorpholinobutyl)cyclopr…

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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) 1.42 7.47 -96.93 3 2 2 21 216.394 6 ↓
Mid Mid (pH 6-8) 1.42 5.37 -37.98 2 2 1 20 215.386 6 ↓

Analogs

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Popular Name: N-[(4S)-4-thiomorpholinopentyl]cyclopropanamine N-[(4S)-4-thiomorpholinopentyl]c…

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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) 1.75 7.81 -100.12 3 2 2 21 230.421 6 ↓
Mid Mid (pH 6-8) 1.75 6.1 -37.08 2 2 1 20 229.413 6 ↓

Analogs

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Popular Name: N-[(4R)-4-thiomorpholinopentyl]cyclopropanamine N-[(4R)-4-thiomorpholinopentyl]c…

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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) 1.75 7.8 -100.21 3 2 2 21 230.421 6 ↓
Mid Mid (pH 6-8) 1.75 6.16 -37.24 2 2 1 20 229.413 6 ↓

Analogs

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Popular Name: N-[4-[(3R)-3-methylthiomorpholin-4-yl]butyl]cyclopropanamine N-[4-[(3R)-3-methylthiomorpholin…

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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) 1.75 7.9 -95.28 3 2 2 21 230.421 6 ↓
Mid Mid (pH 6-8) 1.75 5.87 -38.09 2 2 1 20 229.413 6 ↓

Analogs

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Popular Name: N-[4-[(3S)-3-methylthiomorpholin-4-yl]butyl]cyclopropanamine N-[4-[(3S)-3-methylthiomorpholin…

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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) 1.75 7.9 -95.3 3 2 2 21 230.421 6 ↓
Mid Mid (pH 6-8) 1.75 5.87 -38.07 2 2 1 20 229.413 6 ↓

Analogs

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Popular Name: N-[(4S)-4-[(3R)-3-methylthiomorpholin-4-yl]pentyl]cyclopropanamine N-[(4S)-4-[(3R)-3-methylthiomorp…

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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) 2.08 7.84 -95.41 3 2 2 21 244.448 6 ↓
Mid Mid (pH 6-8) 2.08 5.94 -37.99 2 2 1 20 243.44 6 ↓

Analogs

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Popular Name: N-[(4S)-4-[(3S)-3-methylthiomorpholin-4-yl]pentyl]cyclopropanamine N-[(4S)-4-[(3S)-3-methylthiomorp…

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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) 2.08 8.21 -98.59 3 2 2 21 244.448 6 ↓
Mid Mid (pH 6-8) 2.08 6.52 -37.54 2 2 1 20 243.44 6 ↓

Analogs

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Popular Name: N-[4-[(2S,6R)-2,6-dimethylthiomorpholin-4-yl]butyl]cyclopropanamine N-[4-[(2S,6R)-2,6-dimethylthiomo…

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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 8.82 -98.1 3 2 2 21 244.448 6 ↓
Mid Mid (pH 6-8) 2.15 6.71 -38.47 2 2 1 20 243.44 6 ↓

Analogs

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Popular Name: N-[4-[(2S,6S)-2,6-dimethylthiomorpholin-4-yl]butyl]cyclopropanamine N-[4-[(2S,6S)-2,6-dimethylthiomo…

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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 8.89 -97.42 3 2 2 21 244.448 6 ↓
Mid Mid (pH 6-8) 2.15 7.19 -38.32 2 2 1 20 243.44 6 ↓

Analogs

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Popular Name: N-[4-[(2R,6R)-2,6-dimethylthiomorpholin-4-yl]butyl]cyclopropanamine N-[4-[(2R,6R)-2,6-dimethylthiomo…

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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 8.88 -97.37 3 2 2 21 244.448 6 ↓
Mid Mid (pH 6-8) 2.15 7.19 -38.35 2 2 1 20 243.44 6 ↓

Parameters Provided:

ring.id = 230949
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 = 230949 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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