UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N,N-dimethyl-4-(2-thienyl)piperidin-4-amine N,N-dimethyl-4-(2-thienyl)piperi…

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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 4.13 -39.44 2 2 1 20 211.354 2 ↓
Lo Low (pH 4.5-6) 1.73 5.35 -108.4 3 2 2 21 212.362 2 ↓

Analogs

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Popular Name: 4-(5-ethyl-2-thienyl)piperidine 4-(5-ethyl-2-thienyl)piperidine

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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) 2.44 6.8 -40.48 2 1 1 17 196.339 2 ↓

Analogs

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Popular Name: 4-(4-bromo-2-thienyl)piperidine 4-(4-bromo-2-thienyl)piperidine

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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) 2.38 5.79 -42.35 2 1 1 17 247.181 1 ↓

Analogs

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Popular Name: 4-(5-methyl-2-thienyl)piperidine 4-(5-methyl-2-thienyl)piperidine

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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) 1.86 6.02 -40.59 2 1 1 17 182.312 1 ↓

Analogs

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Popular Name: 2-[(3S,4R)-3-hydroxy-4-(3-methyl-2-thienyl)-1-piperidyl]acetic 2-[(3S,4R)-3-hydroxy-4-(3-methyl…

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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) 0.03 5.3 -34.24 2 4 0 65 255.339 3 ↓
Hi High (pH 8-9.5) 0.03 3.12 -45.46 1 4 -1 64 254.331 3 ↓

Analogs

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Popular Name: 4,4,4-trifluoro-1-[(3S,4R)-3-hydroxy-4-(3-methyl-2-thienyl)-1-piperidyl]butan-1-one 4,4,4-trifluoro-1-[(3S,4R)-3-hyd…

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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 5.54 -9.4 1 3 0 41 321.364 4 ↓

Analogs

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Popular Name: 1-[(3S,4R)-3-hydroxy-4-(3-methyl-2-thienyl)-1-piperidyl]-2-methylsulfonyl-ethanone 1-[(3S,4R)-3-hydroxy-4-(3-methyl…

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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) 0.42 1.48 -26.51 1 5 0 75 317.432 3 ↓

Parameters Provided:

ring.id = 28024
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 = 28024 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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