UCSF
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Analogs

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Popular Name: 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-thienylmethyl)ethanamine 2-(1,1-dioxo-1,2-thiazolidin-2-y…

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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) 0.93 2.7 -48.12 2 4 1 54 261.392 5 ↓
Mid Mid (pH 6-8) 0.93 1.35 -12.96 1 4 0 49 260.384 5 ↓

Analogs

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Popular Name: 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(3-methyl-2-thienyl)methyl]ethanamine 2-(1,1-dioxo-1,2-thiazolidin-2-y…

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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) 1.31 3.27 -47.9 2 4 1 54 275.419 5 ↓
Mid Mid (pH 6-8) 1.31 1.91 -12.97 1 4 0 49 274.411 5 ↓

Analogs

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Popular Name: N-[(5-chloro-2-thienyl)methyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanamine N-[(5-chloro-2-thienyl)methyl]-2…

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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) 1.73 3.32 -52.08 2 4 1 54 295.837 5 ↓
Mid Mid (pH 6-8) 1.73 1.97 -12.49 1 4 0 49 294.829 5 ↓

Analogs

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Popular Name: 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(5-methyl-2-thienyl)methyl]ethanamine 2-(1,1-dioxo-1,2-thiazolidin-2-y…

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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 3.53 -48.03 2 4 1 54 275.419 5 ↓
Mid Mid (pH 6-8) 1.15 2.18 -13.18 1 4 0 49 274.411 5 ↓

Analogs

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Popular Name: N-[(4-bromo-2-thienyl)methyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanamine N-[(4-bromo-2-thienyl)methyl]-2-…

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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) 1.67 3.32 -51.49 2 4 1 54 340.288 5 ↓
Mid Mid (pH 6-8) 1.67 1.96 -12.82 1 4 0 49 339.28 5 ↓

Analogs

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Popular Name: (1S)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-(2-thienyl)ethanamine (1S)-N-[2-(1,1-dioxo-1,2-thiazol…

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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) 1.49 3.22 -45.41 2 4 1 54 275.419 5 ↓
Mid Mid (pH 6-8) 1.49 2 -13.02 1 4 0 49 274.411 5 ↓

Analogs

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Popular Name: (1R)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-(2-thienyl)ethanamine (1R)-N-[2-(1,1-dioxo-1,2-thiazol…

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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) 1.49 3.21 -45.81 2 4 1 54 275.419 5 ↓
Mid Mid (pH 6-8) 1.49 2.03 -12.72 1 4 0 49 274.411 5 ↓

Parameters Provided:

ring.id = 74721
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 = 74721 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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