UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-yl)ethyl]-2,6-dimethoxy-benzamide N-[(2S)-2-(4-dimethylaminophenyl…

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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) 4.45 8.44 -15.6 1 7 0 57 488.632 9 ↓

Analogs

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Popular Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-yl)ethyl]-2,6-dimethoxy-benzamide N-[(2R)-2-(4-dimethylaminophenyl…

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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) 4.45 7.99 -15.71 1 7 0 57 488.632 9 ↓

Analogs

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Popular Name: 5-chloro-N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-yl)ethyl]-2-methoxy-benzamide 5-chloro-N-[(2S)-2-(4-dimethylam…

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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) 5.65 10.86 -12.27 1 6 0 48 493.051 8 ↓

Analogs

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Popular Name: 5-chloro-N-[(2R)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-yl)ethyl]-2-methoxy-benzamide 5-chloro-N-[(2R)-2-(4-dimethylam…

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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) 5.65 11.17 -12.96 1 6 0 48 493.051 8 ↓

Analogs

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Popular Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-yl)ethyl]-2-(trifluoromethyl)benzamide N-[(2S)-2-(4-dimethylaminophenyl…

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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) 5.28 10.9 -16.11 1 5 0 39 496.577 8 ↓

Analogs

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Popular Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-yl)ethyl]-2-(trifluoromethyl)benzamide N-[(2R)-2-(4-dimethylaminophenyl…

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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) 5.28 11.12 -16.3 1 5 0 39 496.577 8 ↓

Analogs

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Popular Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-yl)ethyl]-2-nitro-benzamide N-[(2S)-2-(4-dimethylaminophenyl…

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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) 4.35 11.52 -22.06 1 8 0 85 473.577 8 ↓

Analogs

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Popular Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-yl)ethyl]-2-nitro-benzamide N-[(2R)-2-(4-dimethylaminophenyl…

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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) 4.35 11.46 -21.63 1 8 0 85 473.577 8 ↓

Analogs

37116676
37116676

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Popular Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-yl)ethyl]benzamide N-[(2S)-2-(4-dimethylaminophenyl…

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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) 4.43 9.79 -12.17 1 5 0 39 428.58 7 ↓

Analogs

37116676
37116676

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Popular Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-yl)ethyl]benzamide N-[(2R)-2-(4-dimethylaminophenyl…

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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) 4.43 9.33 -11.96 1 5 0 39 428.58 7 ↓

Analogs

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Popular Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-yl)ethyl]-2,4-dimethoxy-benzamide N-[(2S)-2-(4-dimethylaminophenyl…

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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) 5.02 9.71 -16.05 1 7 0 57 488.632 9 ↓

Analogs

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Popular Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-yl)ethyl]-2,4-dimethoxy-benzamide N-[(2R)-2-(4-dimethylaminophenyl…

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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) 5.02 9.98 -16.35 1 7 0 57 488.632 9 ↓

Analogs

17010476
17010476
17010478
17010478

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Popular Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-yl)ethyl]-3-methyl-benzamide N-[(2S)-2-(4-dimethylaminophenyl…

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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) 4.86 10.57 -12.35 1 5 0 39 442.607 7 ↓

Analogs

17010476
17010476
17010478
17010478

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Popular Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-yl)ethyl]-3-methyl-benzamide N-[(2R)-2-(4-dimethylaminophenyl…

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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) 4.86 10.84 -12.78 1 5 0 39 442.607 7 ↓

Analogs

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Popular Name: 2-chloro-N-[(2S)-2-(4-dimethylaminophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-6-fluoro-benza 2-chloro-N-[(2S)-2-(4-dimethylam…

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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) 5.34 10.24 -12.61 1 5 0 39 499.005 7 ↓

Analogs

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Popular Name: 2-chloro-N-[(2R)-2-(4-dimethylaminophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-6-fluoro-benza 2-chloro-N-[(2R)-2-(4-dimethylam…

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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) 5.34 10.63 -13.4 1 5 0 39 499.005 7 ↓

Parameters Provided:

ring.id = 98760
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 = 98760 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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