UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[3-[[4-(difluoromethoxy)phenyl]methylcarbamoyl]propyl]-2,4-difluoro-benzamide N-[3-[[4-(difluoromethoxy)phenyl…

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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) 3.05 6.28 -17.31 2 5 0 67 398.356 9 ↓

Analogs

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Popular Name: 2,4-difluoro-N-[4-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-4-oxo-butyl]benzamide 2,4-difluoro-N-[4-[methyl-[[4-(t…

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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) 3.57 9.83 -17.5 1 4 0 49 414.374 8 ↓

Analogs

25806781
25806781

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Popular Name: 2,4-difluoro-N-[4-[(2-hydroxyphenyl)methyl-methyl-amino]-4-oxo-butyl]benzamide 2,4-difluoro-N-[4-[(2-hydroxyphe…

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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) 2.62 7.42 -15.62 2 5 0 70 362.376 7 ↓
Hi High (pH 8-9.5) 2.62 8.43 -56.53 1 5 -1 72 361.368 7 ↓

Analogs

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Popular Name: 2,4-difluoro-N-[4-[[(1R)-1-(2-methoxy-5-methyl-phenyl)ethyl]amino]-4-oxo-butyl]benzamide 2,4-difluoro-N-[4-[[(1R)-1-(2-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) 3.43 7.6 -16.91 2 5 0 67 390.43 8 ↓

Analogs

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Popular Name: 2,4-difluoro-N-[4-[[(1S)-1-(2-methoxy-5-methyl-phenyl)ethyl]amino]-4-oxo-butyl]benzamide 2,4-difluoro-N-[4-[[(1S)-1-(2-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) 3.43 7.61 -16.94 2 5 0 67 390.43 8 ↓

Analogs

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Popular Name: 4-chloro-N-[4-[(2,4-dimethylphenyl)methyl-methyl-amino]-4-oxo-butyl]benzamide 4-chloro-N-[4-[(2,4-dimethylphen…

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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) 3.93 11.07 -14.23 1 4 0 49 372.896 7 ↓

Analogs

25066575
25066575

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Popular Name: N-[4-[[4-(difluoromethoxy)-3-methoxy-phenyl]methylamino]-4-oxo-butyl]benzamide N-[4-[[4-(difluoromethoxy)-3-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) 2.38 6.03 -17 2 6 0 77 392.402 10 ↓

Analogs

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Popular Name: 4-chloro-N-[4-[(3-chlorophenyl)methyl-methyl-amino]-4-oxo-butyl]benzamide 4-chloro-N-[4-[(3-chlorophenyl)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) 3.75 9.68 -13.86 1 4 0 49 379.287 7 ↓

Analogs

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Popular Name: 2-ethoxy-N-[4-[(3-methoxyphenyl)methylamino]-4-oxo-butyl]benzamide 2-ethoxy-N-[4-[(3-methoxyphenyl)…

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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) 3.14 7.33 -16.8 2 6 0 77 370.449 10 ↓

Analogs

42928825
42928825

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Popular Name: N-[4-[(3-chlorophenyl)methylamino]-4-oxo-butyl]benzamide N-[4-[(3-chlorophenyl)methylamin…

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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) 2.83 7.06 -12.88 2 4 0 58 330.815 7 ↓

Parameters Provided:

ring.id = 29530
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 = 29530 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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