UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-[[(3S)-3-ethyl-3-piperidyl]methyl]thiomorpholine 4-[[(3S)-3-ethyl-3-piperidyl]met…

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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 5.29 -40.37 2 2 1 20 229.413 3 ↓
Lo Low (pH 4.5-6) 1.52 5.84 -100.62 3 2 2 21 230.421 3 ↓

Analogs

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Popular Name: 4-[[(3R)-3-ethyl-3-piperidyl]methyl]thiomorpholine 4-[[(3R)-3-ethyl-3-piperidyl]met…

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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 5.31 -41.56 2 2 1 20 229.413 3 ↓
Lo Low (pH 4.5-6) 1.52 5.96 -111.84 3 2 2 21 230.421 3 ↓

Analogs

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Popular Name: 4-[[(3S)-3-methyl-3-piperidyl]methyl]thiomorpholine 4-[[(3S)-3-methyl-3-piperidyl]me…

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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) 1.18 4.83 -40.14 2 2 1 20 215.386 2 ↓
Lo Low (pH 4.5-6) 1.18 5.5 -101.51 3 2 2 21 216.394 2 ↓

Analogs

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Popular Name: 4-[[(3R)-3-methyl-3-piperidyl]methyl]thiomorpholine 4-[[(3R)-3-methyl-3-piperidyl]me…

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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) 1.18 4.76 -40.21 2 2 1 20 215.386 2 ↓
Lo Low (pH 4.5-6) 1.18 5.51 -101.49 3 2 2 21 216.394 2 ↓

Analogs

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Popular Name: 4-[[(3S)-3-propyl-3-piperidyl]methyl]thiomorpholine 4-[[(3S)-3-propyl-3-piperidyl]me…

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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) 2.08 5.86 -40.5 2 2 1 20 243.44 4 ↓
Lo Low (pH 4.5-6) 2.08 7.5 -109.08 3 2 2 21 244.448 4 ↓

Analogs

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Popular Name: 4-[[(3R)-3-propyl-3-piperidyl]methyl]thiomorpholine 4-[[(3R)-3-propyl-3-piperidyl]me…

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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) 2.08 5.96 -40.38 2 2 1 20 243.44 4 ↓
Lo Low (pH 4.5-6) 2.08 6.68 -113.17 3 2 2 21 244.448 4 ↓

Analogs

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Popular Name: (3R)-3-methyl-4-[[(3R)-3-piperidyl]methyl]thiomorpholine (3R)-3-methyl-4-[[(3R)-3-piperid…

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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) 1.27 4.69 -41.09 2 2 1 20 215.386 2 ↓
Lo Low (pH 4.5-6) 1.27 6.46 -101.76 3 2 2 21 216.394 2 ↓

Analogs

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Popular Name: (3S)-3-methyl-4-[[(3R)-3-piperidyl]methyl]thiomorpholine (3S)-3-methyl-4-[[(3R)-3-piperid…

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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) 1.27 4.69 -41.21 2 2 1 20 215.386 2 ↓
Lo Low (pH 4.5-6) 1.27 5.78 -103.06 3 2 2 21 216.394 2 ↓

Analogs

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Popular Name: (3S)-4-[[(3S)-3-ethyl-3-piperidyl]methyl]-3-methyl-thiomorpholine (3S)-4-[[(3S)-3-ethyl-3-piperidy…

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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) 1.85 5.79 -40.61 2 2 1 20 243.44 3 ↓
Lo Low (pH 4.5-6) 1.85 6.44 -99.05 3 2 2 21 244.448 3 ↓

Analogs

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Popular Name: (3S)-4-[[(3R)-3-ethyl-3-piperidyl]methyl]-3-methyl-thiomorpholine (3S)-4-[[(3R)-3-ethyl-3-piperidy…

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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) 1.85 5.73 -41.89 2 2 1 20 243.44 3 ↓
Lo Low (pH 4.5-6) 1.85 7.18 -104.25 3 2 2 21 244.448 3 ↓

Analogs

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Popular Name: (3R)-3-methyl-4-[[(3R)-3-methyl-3-piperidyl]methyl]thiomorpholine (3R)-3-methyl-4-[[(3R)-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) 1.51 3.67 -41.46 2 2 1 20 229.413 2 ↓
Lo Low (pH 4.5-6) 1.51 5.87 -99.67 3 2 2 21 230.421 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-4-[[(3R)-3-methyl-3-piperidyl]methyl]thiomorpholine (3S)-3-methyl-4-[[(3R)-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) 1.51 3.85 -41.09 2 2 1 20 229.413 2 ↓
Lo Low (pH 4.5-6) 1.51 5.91 -99.62 3 2 2 21 230.421 2 ↓

Analogs

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Popular Name: (2S,6R)-2,6-dimethyl-4-[[(3R)-3-piperidyl]methyl]thiomorpholine (2S,6R)-2,6-dimethyl-4-[[(3R)-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) 1.66 5.5 -41.65 2 2 1 20 229.413 2 ↓
Lo Low (pH 4.5-6) 1.66 7.37 -104.99 3 2 2 21 230.421 2 ↓

Analogs

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Popular Name: (2S,6S)-2,6-dimethyl-4-[[(3R)-3-piperidyl]methyl]thiomorpholine (2S,6S)-2,6-dimethyl-4-[[(3R)-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) 1.66 5.99 -41.59 2 2 1 20 229.413 2 ↓
Lo Low (pH 4.5-6) 1.66 7.43 -104.16 3 2 2 21 230.421 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6R)-2,6-dimethyl-4-[[(3R)-3-piperidyl]methyl]thiomorpholine (2R,6R)-2,6-dimethyl-4-[[(3R)-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) 1.66 5.95 -41.38 2 2 1 20 229.413 2 ↓
Lo Low (pH 4.5-6) 1.66 7.42 -104.19 3 2 2 21 230.421 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6R)-2,6-dimethyl-4-[[(3R)-3-methyl-3-piperidyl]methyl]thiomorpholine (2S,6R)-2,6-dimethyl-4-[[(3R)-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) 1.91 6.1 -40.64 2 2 1 20 243.44 2 ↓
Lo Low (pH 4.5-6) 1.91 6.85 -102.86 3 2 2 21 244.448 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6S)-2,6-dimethyl-4-[[(3R)-3-methyl-3-piperidyl]methyl]thiomorpholine (2S,6S)-2,6-dimethyl-4-[[(3R)-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) 1.91 6.48 -40.51 2 2 1 20 243.44 2 ↓
Lo Low (pH 4.5-6) 1.91 6.89 -102.07 3 2 2 21 244.448 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6R)-2,6-dimethyl-4-[[(3R)-3-methyl-3-piperidyl]methyl]thiomorpholine (2R,6R)-2,6-dimethyl-4-[[(3R)-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) 1.91 6.56 -40.65 2 2 1 20 243.44 2 ↓
Lo Low (pH 4.5-6) 1.91 6.89 -102.16 3 2 2 21 244.448 2 ↓

Parameters Provided:

ring.id = 293484
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 = 293484 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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