UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-[(3R)-dithiolan-3-yl]-N-methyl-N-[(1S)-1-phenylethyl]pentanamide 5-[(3R)-dithiolan-3-yl]-N-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) 4.32 12.98 -12.07 0 2 0 20 323.527 7 ↓

Analogs

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Popular Name: 5-[(3R)-dithiolan-3-yl]-N-methyl-N-[(1R)-1-phenylethyl]pentanamide 5-[(3R)-dithiolan-3-yl]-N-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) 4.32 12.19 -13.16 0 2 0 20 323.527 7 ↓

Analogs

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Popular Name: 5-[(3S)-dithiolan-3-yl]-N-methyl-N-[(1S)-1-phenylethyl]pentanamide 5-[(3S)-dithiolan-3-yl]-N-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) 4.32 13 -12.27 0 2 0 20 323.527 7 ↓

Analogs

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Popular Name: 5-[(3S)-dithiolan-3-yl]-N-methyl-N-[(1R)-1-phenylethyl]pentanamide 5-[(3S)-dithiolan-3-yl]-N-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) 4.32 12.22 -12.79 0 2 0 20 323.527 7 ↓

Analogs

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Popular Name: 5-[(3R)-dithiolan-3-yl]-N-[(2,4,5-trimethoxyphenyl)methyl]pentanamide 5-[(3R)-dithiolan-3-yl]-N-[(2,4,…

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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 8.45 -16.5 1 5 0 57 385.551 10 ↓

Analogs

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Popular Name: 5-[(3S)-dithiolan-3-yl]-N-[(2,4,5-trimethoxyphenyl)methyl]pentanamide 5-[(3S)-dithiolan-3-yl]-N-[(2,4,…

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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 8.44 -15.76 1 5 0 57 385.551 10 ↓

Analogs

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Popular Name: N-[[4-(diethylsulfamoyl)phenyl]methyl]-5-[(3R)-dithiolan-3-yl]pentanamide N-[[4-(diethylsulfamoyl)phenyl]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) 3.58 9.56 -17.88 1 5 0 66 430.661 11 ↓

Analogs

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Popular Name: N-[[4-(diethylsulfamoyl)phenyl]methyl]-5-[(3S)-dithiolan-3-yl]pentanamide N-[[4-(diethylsulfamoyl)phenyl]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) 3.58 9.55 -17.18 1 5 0 66 430.661 11 ↓

Analogs

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Popular Name: 5-[(3R)-dithiolan-3-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]pentanamide 5-[(3R)-dithiolan-3-yl]-N-[(3,4,…

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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 8.99 -16.56 1 5 0 57 385.551 10 ↓

Analogs

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Popular Name: 5-[(3S)-dithiolan-3-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]pentanamide 5-[(3S)-dithiolan-3-yl]-N-[(3,4,…

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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 8.97 -15.84 1 5 0 57 385.551 10 ↓

Analogs

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Popular Name: 5-[(3R)-dithiolan-3-yl]-N-[[4-(isopropylsulfamoylmethyl)phenyl]methyl]pentanamide 5-[(3R)-dithiolan-3-yl]-N-[[4-(i…

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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) 3.32 8.29 -22.41 2 5 0 75 430.661 11 ↓

Analogs

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Popular Name: 5-[(3S)-dithiolan-3-yl]-N-[[4-(isopropylsulfamoylmethyl)phenyl]methyl]pentanamide 5-[(3S)-dithiolan-3-yl]-N-[[4-(i…

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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) 3.32 8.28 -21.54 2 5 0 75 430.661 11 ↓

Analogs

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Popular Name: N-[(3,4-dimethoxyphenyl)methyl]-5-[(3R)-dithiolan-3-yl]pentanamide N-[(3,4-dimethoxyphenyl)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) 3.16 9.11 -14.83 1 4 0 48 355.525 9 ↓

Analogs

25409488
25409488
25409484
25409484
25409480
25409480
25409475
25409475

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3,4-dimethoxyphenyl)methyl]-5-[(3S)-dithiolan-3-yl]pentanamide N-[(3,4-dimethoxyphenyl)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) 3.16 9.13 -14.85 1 4 0 48 355.525 9 ↓

Parameters Provided:

ring.id = 35299
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 = 35299 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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