UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12034583
12034583

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Popular Name: N-[(1R)-1-[1-[(2,4-dimethoxyphenyl)methyl]-4-piperidyl]-2-phenyl-ethyl]-N,2,5-trimethyl-pyrazole-3-c N-[(1R)-1-[1-[(2,4-dimethoxyphen…

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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) 4.32 3.59 -50.59 1 7 1 61 491.656 9 ↓

Analogs

12034580
12034580

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Popular Name: N-[(1S)-1-[1-[(2,4-dimethoxyphenyl)methyl]-4-piperidyl]-2-phenyl-ethyl]-N,2,5-trimethyl-pyrazole-3-c N-[(1S)-1-[1-[(2,4-dimethoxyphen…

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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) 4.32 3.67 -48.04 1 7 1 61 491.656 9 ↓

Analogs

12036396
12036396
6689077
6689077

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Popular Name: N,2,5-trimethyl-N-[(1S)-1-[1-(m-tolylmethyl)-4-piperidyl]-2-phenyl-ethyl]pyrazole-3-carboxamide N,2,5-trimethyl-N-[(1S)-1-[1-(m-…

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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) 4.70 3.78 -50.25 1 5 1 43 445.631 7 ↓

Analogs

6689077
6689077
12036392
12036392

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Popular Name: N,2,5-trimethyl-N-[(1R)-1-[1-(m-tolylmethyl)-4-piperidyl]-2-phenyl-ethyl]pyrazole-3-carboxamide N,2,5-trimethyl-N-[(1R)-1-[1-(m-…

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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) 4.70 3.59 -51.92 1 5 1 43 445.631 7 ↓

Analogs

12037368
12037368

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Popular Name: N-[(1R)-1-[1-[(3-ethoxy-2-hydroxy-phenyl)methyl]-4-piperidyl]-2-phenyl-ethyl]-N,2,5-trimethyl-pyrazo N-[(1R)-1-[1-[(3-ethoxy-2-hydrox…

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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) 4.20 2.18 -53.58 2 7 1 72 491.656 9 ↓

Analogs

12037365
12037365

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Popular Name: N-[(1S)-1-[1-[(3-ethoxy-2-hydroxy-phenyl)methyl]-4-piperidyl]-2-phenyl-ethyl]-N,2,5-trimethyl-pyrazo N-[(1S)-1-[1-[(3-ethoxy-2-hydrox…

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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) 4.20 1.53 -49.91 2 7 1 72 491.656 9 ↓

Analogs

12211439
12211439

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Popular Name: N-[(1S)-1-[1-[(2,3-difluorophenyl)methyl]-4-piperidyl]-2-phenyl-ethyl]-N,2,5-trimethyl-pyrazole-3-ca N-[(1S)-1-[1-[(2,3-difluoropheny…

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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) 4.51 4.22 -51.97 1 5 1 43 467.584 7 ↓

Analogs

12211434
12211434

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Popular Name: N-[(1R)-1-[1-[(2,3-difluorophenyl)methyl]-4-piperidyl]-2-phenyl-ethyl]-N,2,5-trimethyl-pyrazole-3-ca N-[(1R)-1-[1-[(2,3-difluoropheny…

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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) 4.51 4.69 -57.57 1 5 1 43 467.584 7 ↓

Parameters Provided:

ring.id = 82403
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 = 82403 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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