UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4011731
4011731

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Popular Name: 1,3-dimethyl-2-phenylpiperidin-4-one 1,3-dimethyl-2-phenylpiperidin-4…

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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) 1.97 5.91 -4.81 0 2 0 20 203.285 1 ↓

Analogs

4011731
4011731

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-dimethyl-2-phenylpiperidin-4-one 1,3-dimethyl-2-phenylpiperidin-4…

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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) 1.97 5.77 -4.31 0 2 0 20 203.285 1 ↓

Analogs

4011731
4011731

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-dimethyl-2-phenylpiperidin-4-one 1,3-dimethyl-2-phenylpiperidin-4…

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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) 1.97 5.77 -4.3 0 2 0 20 203.285 1 ↓

Analogs

4011731
4011731

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-dimethyl-2-phenylpiperidin-4-one 1,3-dimethyl-2-phenylpiperidin-4…

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) 1.97 5.92 -4.8 0 2 0 20 203.285 1 ↓

Analogs

2553965
2553965

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Popular Name: 2-Phenyl-piperidin-4-one 2-Phenyl-piperidin-4-one

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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) 0.35 5.39 -47.45 2 2 1 34 176.239 1 ↓
Hi High (pH 8-9.5) 0.35 4.12 -6.06 1 2 0 29 175.231 1 ↓

Analogs

41204520
41204520

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Popular Name: (2S)-2-(p-tolyl)piperidin-4-one (2S)-2-(p-tolyl)piperidin-4-one

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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) 0.80 6.07 -47.52 2 2 1 34 190.266 1 ↓
Hi High (pH 8-9.5) 0.80 4.94 -5.01 1 2 0 29 189.258 1 ↓

Analogs

41204518
41204518

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Popular Name: (2R)-2-(p-tolyl)piperidin-4-one (2R)-2-(p-tolyl)piperidin-4-one

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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) 0.80 6.07 -47.57 2 2 1 34 190.266 1 ↓
Hi High (pH 8-9.5) 0.80 4.79 -6.09 1 2 0 29 189.258 1 ↓

Analogs

41206152
41206152

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Popular Name: (2S)-2-(4-fluorophenyl)piperidin-4-one (2S)-2-(4-fluorophenyl)piperidin…

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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) 0.51 5.46 -52.95 2 2 1 34 194.229 1 ↓
Hi High (pH 8-9.5) 0.51 4.34 -5.87 1 2 0 29 193.221 1 ↓

Analogs

41206151
41206151

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Popular Name: (2R)-2-(4-fluorophenyl)piperidin-4-one (2R)-2-(4-fluorophenyl)piperidin…

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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) 0.51 5.46 -52.95 2 2 1 34 194.229 1 ↓
Hi High (pH 8-9.5) 0.51 4.18 -7.12 1 2 0 29 193.221 1 ↓

Analogs

41213427
41213427

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Popular Name: (2S)-2-(4-methoxyphenyl)piperidin-4-one (2S)-2-(4-methoxyphenyl)piperidi…

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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) 0.41 4.68 -50.23 2 3 1 43 206.265 2 ↓
Hi High (pH 8-9.5) 0.41 3.57 -6.41 1 3 0 38 205.257 2 ↓

Analogs

41213425
41213425

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Popular Name: (2R)-2-(4-methoxyphenyl)piperidin-4-one (2R)-2-(4-methoxyphenyl)piperidi…

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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) 0.41 4.68 -50.23 2 3 1 43 206.265 2 ↓
Hi High (pH 8-9.5) 0.41 3.41 -7.53 1 3 0 38 205.257 2 ↓

Parameters Provided:

ring.id = 373606
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 = 373606 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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