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Popular Name: 3-[cyclopropyl-[(2R)-tetrahydrothiophene-2-carbonyl]amino]propanoic 3-[cyclopropyl-[(2R)-tetrahydrot…

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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) 0.46 7.14 -45.3 0 4 -1 60 242.32 5 ↓

Analogs

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Popular Name: 3-[cyclopropyl-[(2S)-tetrahydrothiophene-2-carbonyl]amino]propanoic 3-[cyclopropyl-[(2S)-tetrahydrot…

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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) 0.46 7.25 -42.86 0 4 -1 60 242.32 5 ↓

Analogs

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Popular Name: 2-[cyclopropyl-[(2R)-tetrahydrothiophene-2-carbonyl]amino]acetic 2-[cyclopropyl-[(2R)-tetrahydrot…

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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) -0.72 6.74 -52.57 0 4 -1 60 228.293 4 ↓

Analogs

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Popular Name: 2-[cyclopropyl-[(2S)-tetrahydrothiophene-2-carbonyl]amino]acetic 2-[cyclopropyl-[(2S)-tetrahydrot…

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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) -0.72 6.73 -57.02 0 4 -1 60 228.293 4 ↓

Analogs

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Popular Name: (2R)-N-(3-amino-3-thioxo-propyl)-N-cyclopropyl-tetrahydrothiophene-2-carboxamide (2R)-N-(3-amino-3-thioxo-propyl)…

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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) 0.13 5.59 -9.5 2 3 0 46 258.412 5 ↓

Analogs

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Popular Name: (2S)-N-(3-amino-3-thioxo-propyl)-N-cyclopropyl-tetrahydrothiophene-2-carboxamide (2S)-N-(3-amino-3-thioxo-propyl)…

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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) 0.13 5.69 -12.43 2 3 0 46 258.412 5 ↓

Analogs

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Popular Name: (2R)-N-cyclopropyl-N-(2-hydroxyethyl)tetrahydrothiophene-2-carboxamide (2R)-N-cyclopropyl-N-(2-hydroxye…

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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) 0.31 3.17 -9.22 1 3 0 41 215.318 4 ↓

Analogs

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Popular Name: (2S)-N-cyclopropyl-N-(2-hydroxyethyl)tetrahydrothiophene-2-carboxamide (2S)-N-cyclopropyl-N-(2-hydroxye…

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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) 0.31 3.27 -9 1 3 0 41 215.318 4 ↓

Analogs

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Popular Name: (2R)-N-[(1R,2S)-2-aminocyclopropyl]tetrahydrothiophene-2-carboxamide (2R)-N-[(1R,2S)-2-aminocycloprop…

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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) -0.16 1.39 -51.22 4 3 1 57 187.288 2 ↓
Mid Mid (pH 6-8) -0.16 1.05 -7.55 3 3 0 55 186.28 2 ↓

Analogs

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Popular Name: (2S)-N-[(1R,2S)-2-aminocyclopropyl]tetrahydrothiophene-2-carboxamide (2S)-N-[(1R,2S)-2-aminocycloprop…

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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) -0.16 1.41 -49.47 4 3 1 57 187.288 2 ↓
Mid Mid (pH 6-8) -0.16 1.05 -7.09 3 3 0 55 186.28 2 ↓

Analogs

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Popular Name: (2R)-N-[(1S,2S)-2-aminocyclopropyl]tetrahydrothiophene-2-carboxamide (2R)-N-[(1S,2S)-2-aminocycloprop…

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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) -0.16 1.16 -46.77 4 3 1 57 187.288 2 ↓
Mid Mid (pH 6-8) -0.16 0.84 -8.48 3 3 0 55 186.28 2 ↓

Analogs

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Popular Name: (2S)-N-[(1S,2S)-2-aminocyclopropyl]tetrahydrothiophene-2-carboxamide (2S)-N-[(1S,2S)-2-aminocycloprop…

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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) -0.16 1.16 -48.38 4 3 1 57 187.288 2 ↓
Mid Mid (pH 6-8) -0.16 0.85 -8.66 3 3 0 55 186.28 2 ↓

Analogs

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Popular Name: (2R)-N-(2-chloroethyl)-N-cyclopropyl-tetrahydrothiophene-2-carboxamide (2R)-N-(2-chloroethyl)-N-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) 1.55 7.03 -7.97 0 2 0 20 233.764 4 ↓

Analogs

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Popular Name: (2S)-N-(2-chloroethyl)-N-cyclopropyl-tetrahydrothiophene-2-carboxamide (2S)-N-(2-chloroethyl)-N-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) 1.55 7.02 -7.39 0 2 0 20 233.764 4 ↓

Parameters Provided:

ring.id = 510675
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 = 510675 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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