UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(1R)-indan-1-yl]-N-methyl-piperidine-4-carboxamide N-[(1R)-indan-1-yl]-N-methyl-pip…

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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) 1.72 7.12 -46.76 2 3 1 37 259.373 2 ↓

Analogs

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Popular Name: N-[(1S)-indan-1-yl]-N-methyl-piperidine-4-carboxamide N-[(1S)-indan-1-yl]-N-methyl-pip…

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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) 1.72 7.28 -47 2 3 1 37 259.373 2 ↓

Analogs

12915911
12915911
12915906
12915906
12983960
12983960

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Popular Name: N-[(1S)-indan-1-yl]piperidine-4-carboxamide N-[(1S)-indan-1-yl]piperidine-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) 1.47 5.73 -46.36 3 3 1 46 245.346 2 ↓

Analogs

12915911
12915911
12915906
12915906
12983960
12983960

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-indan-1-yl]piperidine-4-carboxamide N-[(1R)-indan-1-yl]piperidine-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) 1.47 5.66 -46.83 3 3 1 46 245.346 2 ↓

Analogs

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Popular Name: N-[(1R)-indan-1-yl]-N,4-dimethyl-piperidine-4-carboxamide N-[(1R)-indan-1-yl]-N,4-dimethyl…

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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) 1.96 7.06 -42.33 2 3 1 37 273.4 2 ↓

Analogs

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Popular Name: N-[(1S)-indan-1-yl]-N,4-dimethyl-piperidine-4-carboxamide N-[(1S)-indan-1-yl]-N,4-dimethyl…

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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) 1.96 7.2 -43.27 2 3 1 37 273.4 2 ↓

Analogs

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Popular Name: N-[(1R)-indan-1-yl]-4-methyl-piperidine-4-carboxamide N-[(1R)-indan-1-yl]-4-methyl-pip…

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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) 2.04 6.16 -39.06 3 3 1 46 259.373 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-indan-1-yl]-4-methyl-piperidine-4-carboxamide N-[(1S)-indan-1-yl]-4-methyl-pip…

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) 2.04 5.98 -40.6 3 3 1 46 259.373 2 ↓

Analogs

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Popular Name: 4-ethyl-N-[(1R)-indan-1-yl]-N-methyl-piperidine-4-carboxamide 4-ethyl-N-[(1R)-indan-1-yl]-N-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) 2.29 7.76 -44.63 2 3 1 37 287.427 3 ↓

Analogs

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Popular Name: 4-ethyl-N-[(1S)-indan-1-yl]-N-methyl-piperidine-4-carboxamide 4-ethyl-N-[(1S)-indan-1-yl]-N-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) 2.29 7.87 -41.2 2 3 1 37 287.427 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-N-[(1R)-indan-1-yl]piperidine-4-carboxamide 4-ethyl-N-[(1R)-indan-1-yl]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) 2.38 6.61 -43.59 3 3 1 46 273.4 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-N-[(1S)-indan-1-yl]piperidine-4-carboxamide 4-ethyl-N-[(1S)-indan-1-yl]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) 2.38 6.39 -41.92 3 3 1 46 273.4 3 ↓

Analogs

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Popular Name: N-[(1R)-indan-1-yl]-4-propyl-piperidine-4-carboxamide N-[(1R)-indan-1-yl]-4-propyl-pip…

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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) 2.94 7.38 -43.82 3 3 1 46 287.427 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-indan-1-yl]-4-propyl-piperidine-4-carboxamide N-[(1S)-indan-1-yl]-4-propyl-pip…

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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) 2.94 7.21 -42.1 3 3 1 46 287.427 4 ↓

Analogs

55656287
55656287
55656288
55656288

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Popular Name: N-[(1R)-5-fluoroindan-1-yl]-1-prop-2-ynyl-piperidine-4-carboxamide N-[(1R)-5-fluoroindan-1-yl]-1-pr…

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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) 2.37 6.96 -11.11 1 3 0 32 300.377 3 ↓
Lo Low (pH 4.5-6) 2.37 9.23 -45.91 2 3 1 34 301.385 3 ↓

Analogs

55656287
55656287
55656288
55656288

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Popular Name: N-[(1S)-5-fluoroindan-1-yl]-1-prop-2-ynyl-piperidine-4-carboxamide N-[(1S)-5-fluoroindan-1-yl]-1-pr…

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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) 2.37 6.9 -10.93 1 3 0 32 300.377 3 ↓
Lo Low (pH 4.5-6) 2.37 9.18 -45.02 2 3 1 34 301.385 3 ↓

Parameters Provided:

ring.id = 65920
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 = 65920 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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