UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-(1,3-dithiolan-2-yl)-N-[(4-hydroxyphenyl)methyl]benzamide 4-(1,3-dithiolan-2-yl)-N-[(4-hyd…

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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) 2.91 6.83 -10.83 2 3 0 49 331.462 4 ↓

Analogs

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Popular Name: 3-[benzyl-[4-(1,3-dithiolan-2-yl)benzoyl]amino]propanoic 3-[benzyl-[4-(1,3-dithiolan-2-yl…

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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) 2.68 12.14 -49.89 0 4 -1 60 386.518 7 ↓

Analogs

14252734
14252734
6305854
6305854

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Popular Name: N-[(1R)-1-(3,4-difluorophenyl)ethyl]-4-(1,3-dithiolan-2-yl)benzamide N-[(1R)-1-(3,4-difluorophenyl)et…

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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 10.67 -10.39 1 2 0 29 365.47 4 ↓

Analogs

6305854
6305854
14252731
14252731

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Popular Name: N-[(1S)-1-(3,4-difluorophenyl)ethyl]-4-(1,3-dithiolan-2-yl)benzamide N-[(1S)-1-(3,4-difluorophenyl)et…

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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 10.66 -11.95 1 2 0 29 365.47 4 ↓

Analogs

15685548
15685548

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Popular Name: N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-4-(1,3-dithiolan-2-yl)benzamide N-[(1R)-1-(2,5-dimethylphenyl)et…

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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) 4.77 11.76 -9.36 1 2 0 29 357.544 4 ↓

Analogs

15685548
15685548

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Popular Name: N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-4-(1,3-dithiolan-2-yl)benzamide N-[(1S)-1-(2,5-dimethylphenyl)et…

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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) 4.77 12.19 -10.36 1 2 0 29 357.544 4 ↓

Analogs

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Popular Name: 4-(1,3-dithiolan-2-yl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide 4-(1,3-dithiolan-2-yl)-N-[(1R)-1…

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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) 4.82 11.55 -12.12 1 2 0 29 397.487 5 ↓

Analogs

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Popular Name: 4-(1,3-dithiolan-2-yl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide 4-(1,3-dithiolan-2-yl)-N-[(1S)-1…

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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) 4.82 11.56 -12.07 1 2 0 29 397.487 5 ↓

Parameters Provided:

ring.id = 17604
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 = 17604 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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