UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(3S)-1-ethyl-3-piperidyl]-1,3,4-thiadiazol-2-amine N-[(3S)-1-ethyl-3-piperidyl]-1,3…

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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 4.89 -41.32 2 4 1 42 213.33 3 ↓
Hi High (pH 8-9.5) 1.31 2.66 -7 1 4 0 41 212.322 3 ↓

Analogs

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Popular Name: N-[(3R)-1-ethyl-3-piperidyl]-1,3,4-thiadiazol-2-amine N-[(3R)-1-ethyl-3-piperidyl]-1,3…

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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 4.89 -41.35 2 4 1 42 213.33 3 ↓
Hi High (pH 8-9.5) 1.31 2.66 -6.98 1 4 0 41 212.322 3 ↓

Analogs

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Popular Name: N-[(3S)-1-methyl-3-piperidyl]-1,3,4-thiadiazol-2-amine N-[(3S)-1-methyl-3-piperidyl]-1,…

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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 4.23 -42.54 2 4 1 42 199.303 2 ↓
Hi High (pH 8-9.5) 0.93 1.86 -7.71 1 4 0 41 198.295 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-1-methyl-3-piperidyl]-1,3,4-thiadiazol-2-amine N-[(3R)-1-methyl-3-piperidyl]-1,…

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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 4.23 -42.53 2 4 1 42 199.303 2 ↓
Hi High (pH 8-9.5) 0.93 1.86 -7.72 1 4 0 41 198.295 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-3-piperidyl]-1,3,4-thiadiazol-2-amine N-[(3R)-3-piperidyl]-1,3,4-thiad…

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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) 0.34 2.01 -47.74 3 4 1 54 185.276 2 ↓
Hi High (pH 8-9.5) 0.34 0.67 -7.68 2 4 0 50 184.268 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-3-piperidyl]-1,3,4-thiadiazol-2-amine N-[(3S)-3-piperidyl]-1,3,4-thiad…

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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) 0.34 2.01 -47.73 3 4 1 54 185.276 2 ↓
Hi High (pH 8-9.5) 0.34 0.67 -7 2 4 0 50 184.268 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[(3R)-3-piperidyl]-1,3,4-thiadiazol-2-amine N-methyl-N-[(3R)-3-piperidyl]-1,…

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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) 0.58 3.48 -45.77 2 4 1 46 199.303 2 ↓
Hi High (pH 8-9.5) 0.58 2.15 -8.35 1 4 0 41 198.295 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[(3S)-3-piperidyl]-1,3,4-thiadiazol-2-amine N-methyl-N-[(3S)-3-piperidyl]-1,…

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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) 0.58 3.49 -45.36 2 4 1 46 199.303 2 ↓
Hi High (pH 8-9.5) 0.58 2.16 -7.47 1 4 0 41 198.295 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-N-[(3R)-3-piperidyl]-1,3,4-thiadiazol-2-amine N-ethyl-N-[(3R)-3-piperidyl]-1,3…

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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) 0.96 4.49 -42.29 2 4 1 46 213.33 3 ↓
Hi High (pH 8-9.5) 0.96 3.15 -6.99 1 4 0 41 212.322 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-N-[(3S)-3-piperidyl]-1,3,4-thiadiazol-2-amine N-ethyl-N-[(3S)-3-piperidyl]-1,3…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.96 4.49 -42.8 2 4 1 46 213.33 3 ↓
Hi High (pH 8-9.5) 0.96 3.15 -7.92 1 4 0 41 212.322 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-3-piperidyl]-N-propyl-1,3,4-thiadiazol-2-amine N-[(3R)-3-piperidyl]-N-propyl-1,…

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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) 1.46 5.25 -42.41 2 4 1 46 227.357 4 ↓
Hi High (pH 8-9.5) 1.46 3.91 -6.62 1 4 0 41 226.349 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-3-piperidyl]-N-propyl-1,3,4-thiadiazol-2-amine N-[(3S)-3-piperidyl]-N-propyl-1,…

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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) 1.46 5.25 -42.83 2 4 1 46 227.357 4 ↓
Hi High (pH 8-9.5) 1.46 3.91 -7.61 1 4 0 41 226.349 4 ↓

Parameters Provided:

ring.id = 506657
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 = 506657 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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