UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[4-nitro-3-(trifluoromethyl)phenyl]-2-BLAHylsulfanyl-acetamide N-[4-nitro-3-(trifluoromethyl)ph…

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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) 4.51 1.67 -19.69 1 8 0 105 453.427 6 ↓

Analogs

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Popular Name: N-(5-chloro-2,4-dimethoxy-phenyl)-2-BLAHylsulfanyl-acetamide N-(5-chloro-2,4-dimethoxy-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) 4.37 -0.64 -17.14 1 7 0 78 434.93 6 ↓

Analogs

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Popular Name: N-(2-propoxyphenyl)-2-BLAHylsulfanyl-acetamide N-(2-propoxyphenyl)-2-BLAHylsulf…

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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) 4.61 -0.47 -14.57 1 6 0 69 398.513 7 ↓

Analogs

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Popular Name: N-(2,5-diethoxyphenyl)-2-BLAHylsulfanyl-acetamide N-(2,5-diethoxyphenyl)-2-BLAHyls…

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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) 4.52 -0.53 -16.97 1 7 0 78 428.539 8 ↓

Analogs

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Popular Name: N-[5-(dimethylsulfamoyl)-2,3-dimethyl-phenyl]-2-BLAHylsulfanyl-acetamide N-[5-(dimethylsulfamoyl)-2,3-dim…

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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) 3.79 -3.95 -22.4 1 8 0 97 475.621 6 ↓

Analogs

11975301
11975301

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Popular Name: N-(4-chloro-3-methyl-phenyl)-N-(2-cyanoethyl)-2-BLAHylsulfanyl-acetamide N-(4-chloro-3-methyl-phenyl)-N-(…

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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) 4.48 2.45 -19.66 0 6 0 74 441.969 6 ↓

Analogs

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Popular Name: N-(3-chloro-2,6-diethyl-phenyl)-2-BLAHylsulfanyl-acetamide N-(3-chloro-2,6-diethyl-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) 5.15 0.41 -13.91 1 5 0 59 430.986 6 ↓

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) 4.27 11.01 -21.28 1 7 0 86 412.496 6 ↓

Analogs

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Popular Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide N-(2-chloro-4,6-dimethyl-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) 5.16 11.75 -15.61 1 5 0 59 402.932 4 ↓

Analogs

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Popular Name: N-(3-chloro-4-cyano-phenyl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide N-(3-chloro-4-cyano-phenyl)-2-([…

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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) 4.09 10.3 -17.32 1 6 0 83 399.888 4 ↓

Analogs

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Popular Name: 2-[[2-([1,2,4]triazolo[5,4-b][1,3]benzothiazol-1-ylsulfanyl)acetyl]amino]terephthalic 2-[[2-([1,2,4]triazolo[5,4-b][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) 3.66 9.13 -109.72 1 9 -2 140 426.435 6 ↓

Analogs

11975217
11975217
23407294
23407294

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Popular Name: N-methyl-3-[[2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetyl]amino]benzamide N-methyl-3-[[2-([1,2,4]triazolo[…

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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) 2.90 7.76 -25.4 2 7 0 88 397.485 5 ↓

Analogs

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Popular Name: 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylthio)-N-[2-(trifluoromethyl)phenyl]acetamide 2-([1,2,4]triazolo[3,4-b][1,3]be…

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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) 4.57 1.71 -13.96 1 5 0 59 408.43 5 ↓

Analogs

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Popular Name: N-p-phenetyl-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylthio)acetamide N-p-phenetyl-2-([1,2,4]triazolo[…

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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) 4.16 -0.67 -16.4 1 6 0 68 384.486 6 ↓

Analogs

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Popular Name: N-(2-ethyl-6-methyl-phenyl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylthio)acetamide N-(2-ethyl-6-methyl-phenyl)-2-([…

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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) 4.06 0.36 -14.35 1 5 0 59 382.514 5 ↓

Parameters Provided:

ring.id = 62626
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 = 62626 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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