UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-chloro-4-(4-propyl-1-piperidyl)-1,2,5-thiadiazole 3-chloro-4-(4-propyl-1-piperidyl…

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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) 3.95 6.21 -2.35 0 3 0 29 245.779 3 ↓

Analogs

42447588
42447588

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Popular Name: 3-chloro-4-(4-ethyl-4-methyl-1-piperidyl)-1,2,5-thiadiazole 3-chloro-4-(4-ethyl-4-methyl-1-p…

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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) 3.45 5.56 -2.2 0 3 0 29 245.779 2 ↓

Analogs

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Popular Name: 3-chloro-4-(3,3-dimethyl-1-piperidyl)-1,2,5-thiadiazole 3-chloro-4-(3,3-dimethyl-1-piper…

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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) 3.12 5.47 -2.14 0 3 0 29 231.752 1 ↓

Analogs

42432634
42432634

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Popular Name: [(2S)-1-(4-chloro-1,2,5-thiadiazol-3-yl)-2-piperidyl]methanol [(2S)-1-(4-chloro-1,2,5-thiadiaz…

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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) 1.82 1.12 -4.26 1 4 0 49 233.724 2 ↓

Analogs

42432633
42432633

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Popular Name: [(2R)-1-(4-chloro-1,2,5-thiadiazol-3-yl)-2-piperidyl]methanol [(2R)-1-(4-chloro-1,2,5-thiadiaz…

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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) 1.82 1.16 -4.24 1 4 0 49 233.724 2 ↓

Analogs

42440603
42440603
42440605
42440605
42440607
42440607

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Popular Name: (3S,6R)-1-(4-chloro-1,2,5-thiadiazol-3-yl)-6-methyl-piperidine-3-carboxamide (3S,6R)-1-(4-chloro-1,2,5-thiadi…

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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) 1.39 1.37 -6.92 2 5 0 72 260.75 2 ↓

Analogs

42440605
42440605
42440607
42440607
42440601
42440601

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Popular Name: (3S,6S)-1-(4-chloro-1,2,5-thiadiazol-3-yl)-6-methyl-piperidine-3-carboxamide (3S,6S)-1-(4-chloro-1,2,5-thiadi…

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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) 1.39 0.92 -6.92 2 5 0 72 260.75 2 ↓

Analogs

42440607
42440607
42440601
42440601
42440603
42440603

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6R)-1-(4-chloro-1,2,5-thiadiazol-3-yl)-6-methyl-piperidine-3-carboxamide (3R,6R)-1-(4-chloro-1,2,5-thiadi…

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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) 1.39 0.92 -6.95 2 5 0 72 260.75 2 ↓

Analogs

42440601
42440601
42440603
42440603
42440605
42440605

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6S)-1-(4-chloro-1,2,5-thiadiazol-3-yl)-6-methyl-piperidine-3-carboxamide (3R,6S)-1-(4-chloro-1,2,5-thiadi…

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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) 1.39 1.37 -6.94 2 5 0 72 260.75 2 ↓

Analogs

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Popular Name: 2-[1-(4-chloro-1,2,5-thiadiazol-3-yl)-4-piperidyl]acetamide 2-[1-(4-chloro-1,2,5-thiadiazol-…

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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) 1.52 1.57 -7.65 2 5 0 72 260.75 3 ↓

Analogs

61823919
61823919
62960476
62960476
71137716
71137716
3882575
3882575

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Popular Name: 3-chloro-4-(4-ethyl-1-piperidyl)-1,2,5-thiadiazole 3-chloro-4-(4-ethyl-1-piperidyl)…

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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) 3.39 5.45 -2.32 0 3 0 29 231.752 2 ↓

Parameters Provided:

ring.id = 16987
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 = 16987 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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