UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-4-methyl-cyclohexanamine N-[2-(1,1-dioxo-1,2-thiazolidin-…

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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 3.35 -47.21 2 4 1 54 261.411 4 ↓

Analogs

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Popular Name: (1S,2R)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-methyl-cyclohexanamine (1S,2R)-N-[2-(1,1-dioxo-1,2-thia…

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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) 1.78 3.44 -45.53 2 4 1 54 261.411 4 ↓

Analogs

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Popular Name: (1S,2S)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-methyl-cyclohexanamine (1S,2S)-N-[2-(1,1-dioxo-1,2-thia…

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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) 1.78 3.64 -45.42 2 4 1 54 261.411 4 ↓

Analogs

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Popular Name: (1R,2R)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-methyl-cyclohexanamine (1R,2R)-N-[2-(1,1-dioxo-1,2-thia…

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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) 1.78 3.64 -45.26 2 4 1 54 261.411 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-methyl-cyclohexanamine (1R,2S)-N-[2-(1,1-dioxo-1,2-thia…

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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) 1.78 3.44 -46.18 2 4 1 54 261.411 4 ↓

Analogs

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Popular Name: (1S,3R)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-methyl-cyclohexanamine (1S,3R)-N-[2-(1,1-dioxo-1,2-thia…

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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 3.57 -46.63 2 4 1 54 261.411 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-methyl-cyclohexanamine (1S,3S)-N-[2-(1,1-dioxo-1,2-thia…

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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 3.34 -46.49 2 4 1 54 261.411 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3R)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-methyl-cyclohexanamine (1R,3R)-N-[2-(1,1-dioxo-1,2-thia…

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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 3.33 -46.71 2 4 1 54 261.411 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-methyl-cyclohexanamine (1R,3S)-N-[2-(1,1-dioxo-1,2-thia…

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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 3.56 -47.05 2 4 1 54 261.411 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]cyclohexanamine N-[2-(1,1-dioxo-1,2-thiazolidin-…

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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) 1.54 2.97 -46.4 2 4 1 54 247.384 4 ↓
Hi High (pH 8-9.5) 1.54 1.79 -11.58 1 4 0 49 246.376 4 ↓

Parameters Provided:

ring.id = 74713
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 = 74713 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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