UCSF
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Analogs

25706582
25706582
25706584
25706584
25708424
25708424
25708429
25708429
32744534
32744534

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Popular Name: 2-[(3R)-1,1-dioxothiolan-3-yl]sulfanyl-N-propyl-benzamide 2-[(3R)-1,1-dioxothiolan-3-yl]su…

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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) 1.92 4.03 -18.85 1 4 0 63 313.444 5 ↓

Analogs

25706582
25706582
25706584
25706584
25708424
25708424
25708429
25708429
32744534
32744534

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-propyl-benzamide 2-[(3S)-1,1-dioxothiolan-3-yl]su…

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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) 1.92 4.05 -18.05 1 4 0 63 313.444 5 ↓

Analogs

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Popular Name: (3S,4S)-4-(3-methoxyphenyl)sulfanyl-1,1-dioxo-thiolan-3-ol (3S,4S)-4-(3-methoxyphenyl)sulfa…

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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) 1.01 0.68 -14.42 1 4 0 64 274.363 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4R)-4-(3-methoxyphenyl)sulfanyl-1,1-dioxo-thiolan-3-ol (3S,4R)-4-(3-methoxyphenyl)sulfa…

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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) 1.01 0.45 -15.32 1 4 0 64 274.363 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4S)-4-(3-methoxyphenyl)sulfanyl-1,1-dioxo-thiolan-3-ol (3R,4S)-4-(3-methoxyphenyl)sulfa…

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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) 1.01 0.43 -14.34 1 4 0 64 274.363 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4R)-4-(3-methoxyphenyl)sulfanyl-1,1-dioxo-thiolan-3-ol (3R,4R)-4-(3-methoxyphenyl)sulfa…

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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) 1.01 0.64 -14.63 1 4 0 64 274.363 3 ↓

Analogs

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Popular Name: (3S,4S)-4-(4-isopropylphenyl)sulfanyl-1,1-dioxo-thiolan-3-ol (3S,4S)-4-(4-isopropylphenyl)sul…

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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) 2.49 3.3 -12.44 1 3 0 54 286.418 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4R)-4-(4-isopropylphenyl)sulfanyl-1,1-dioxo-thiolan-3-ol (3S,4R)-4-(4-isopropylphenyl)sul…

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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) 2.49 3.07 -12.88 1 3 0 54 286.418 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4S)-4-(4-isopropylphenyl)sulfanyl-1,1-dioxo-thiolan-3-ol (3R,4S)-4-(4-isopropylphenyl)sul…

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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) 2.49 3.05 -12.81 1 3 0 54 286.418 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4R)-4-(4-isopropylphenyl)sulfanyl-1,1-dioxo-thiolan-3-ol (3R,4R)-4-(4-isopropylphenyl)sul…

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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) 2.49 3.26 -12.89 1 3 0 54 286.418 3 ↓

Analogs

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Popular Name: 4-[(3R)-1,1-dioxothiolan-3-yl]sulfanyl-3,5-difluoro-aniline 4-[(3R)-1,1-dioxothiolan-3-yl]su…

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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) 1.15 2.42 -13.1 2 3 0 60 279.333 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-3,5-difluoro-aniline 4-[(3S)-1,1-dioxothiolan-3-yl]su…

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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) 1.15 2.42 -13.38 2 3 0 60 279.333 2 ↓

Parameters Provided:

ring.id = 148064
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 = 148064 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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