UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: methyl methyl

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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) 2.08 8.21 -13.21 1 4 0 55 325.455 7 ↓

Analogs

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Popular Name: N-[(2S)-2-dimethylamino-3-methyl-butyl]-4-(1,3-dithiolan-2-yl)benzamide N-[(2S)-2-dimethylamino-3-methyl…

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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) 3.13 9.78 -47.47 2 3 1 34 339.55 6 ↓
Hi High (pH 8-9.5) 3.13 7.43 -9.56 1 3 0 32 338.542 6 ↓

Analogs

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Popular Name: N-[(2R)-2-dimethylamino-3-methyl-butyl]-4-(1,3-dithiolan-2-yl)benzamide N-[(2R)-2-dimethylamino-3-methyl…

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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) 3.13 10.31 -45.68 2 3 1 34 339.55 6 ↓
Hi High (pH 8-9.5) 3.13 8.46 -9.45 1 3 0 32 338.542 6 ↓

Analogs

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Popular Name: N-[3-(1,3-dithiolan-2-yl)phenyl]-2-methoxy-acetamide N-[3-(1,3-dithiolan-2-yl)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) 1.93 6.44 -14.94 1 3 0 38 269.391 4 ↓

Analogs

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Popular Name: (2S)-2-acetamido-N-[3-(1,3-dithiolan-2-yl)phenyl]propanamide (2S)-2-acetamido-N-[3-(1,3-dithi…

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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) 1.43 5.79 -12.69 2 4 0 58 310.444 4 ↓

Analogs

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Popular Name: N'-[3-(1,3-dithiolan-2-yl)phenyl]-N-[(1R)-1-methylhexyl]oxamide N'-[3-(1,3-dithiolan-2-yl)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) 3.83 9.13 -8.12 2 4 0 58 366.552 8 ↓

Analogs

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Popular Name: N'-[3-(1,3-dithiolan-2-yl)phenyl]-N-[(1S)-1-methylhexyl]oxamide N'-[3-(1,3-dithiolan-2-yl)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) 3.83 9.04 -8.44 2 4 0 58 366.552 8 ↓

Analogs

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Popular Name: 1-butyl-3-[3-(1,3-dithiolan-2-yl)phenyl]-1-(2-methoxyethyl)urea 1-butyl-3-[3-(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) 3.94 10.31 -14.13 1 4 0 42 354.541 8 ↓

Analogs

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Popular Name: N-[3-[[3-(1,3-dithiolan-2-yl)phenyl]carbamoylamino]propyl]acetamide N-[3-[[3-(1,3-dithiolan-2-yl)phe…

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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) 1.69 5.08 -20.31 3 5 0 70 339.486 6 ↓

Analogs

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Popular Name: 1-[[4-(1,3-dithiolan-2-yl)benzoyl]amino]-3-methyl-urea 1-[[4-(1,3-dithiolan-2-yl)benzoy…

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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) 1.40 4.24 -16.1 3 5 0 70 297.405 3 ↓

Analogs

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Popular Name: 4-(1,3-dithiolan-2-yl)-N-[(1S)-1-ethyl-2-methyl-propyl]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) 3.98 9.58 -9.15 1 2 0 29 309.5 5 ↓

Analogs

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Popular Name: 4-(1,3-dithiolan-2-yl)-N-[(1R)-1-ethyl-2-methyl-propyl]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) 3.98 9.29 -9 1 2 0 29 309.5 5 ↓

Analogs

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Popular Name: [4-(1,3-dithiolan-2-yl)phenyl] [4-(1,3-dithiolan-2-yl)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) 2.23 5.71 -12.17 0 4 0 47 305.446 4 ↓

Analogs

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Popular Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] [4-(1,3-dithiolan-2-yl)-2-methox…

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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) 2.02 5.47 -14.61 0 5 0 56 335.472 5 ↓

Analogs

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Popular Name: 4-(1,3-dithiolan-2-yl)-N-isopropylsulfonyl-benzamide 4-(1,3-dithiolan-2-yl)-N-isoprop…

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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) 2.17 4.66 -58.46 0 4 -1 70 330.476 4 ↓

Analogs

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Popular Name: 4-(1,3-dithiolan-2-yl)-N-(2-methylsulfonylethyl)benzamide 4-(1,3-dithiolan-2-yl)-N-(2-meth…

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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) 1.39 4.3 -24.34 1 4 0 63 331.484 5 ↓

Parameters Provided:

ring.id = 10283
filter.purchasability = annotated
page.format = targets
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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 = 10283 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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