UCSF
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Analogs

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Popular Name: N-(4-butylphenyl)-2-[(5-hydroxy-1,2,4-triazin-3-yl)sulfanyl]acetamide N-(4-butylphenyl)-2-[(5-hydroxy-…

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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) 2.77 4.56 -42.38 1 6 -1 91 317.394 7 ↓
Mid Mid (pH 6-8) 2.32 4.69 -28.54 2 6 0 88 318.402 7 ↓

Analogs

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Popular Name: 2-[[2-[[6-(2-carboxyethyl)-5-oxo-4H-1,2,4-triazin-3-yl]sulfanyl]acetyl]amino]-4,5-dimethoxy-benzoic 2-[[2-[[6-(2-carboxyethyl)-5-oxo…

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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) 0.92 2.85 -165.55 1 12 -3 190 435.394 10 ↓
Lo Low (pH 4.5-6) 0.47 4.33 -99.46 2 12 -2 186 436.402 10 ↓

Analogs

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Popular Name: 4-[[2-[[6-(2-carboxyethyl)-5-oxo-4H-1,2,4-triazin-3-yl]sulfanyl]acetyl]amino]-5-chloro-2-methoxy-ben 4-[[2-[[6-(2-carboxyethyl)-5-oxo…

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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) 1.84 3.99 -164.17 1 11 -3 180 439.813 9 ↓
Lo Low (pH 4.5-6) 1.38 5.48 -103.88 2 11 -2 177 440.821 9 ↓

Analogs

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Popular Name: 3-[3-[2-[[4-(carboxymethyl)phenyl]amino]-2-oxo-ethyl]sulfanyl-5-oxo-4H-1,2,4-triazin-6-yl]propanoic 3-[3-[2-[[4-(carboxymethyl)pheny…

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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) 0.68 4.06 -163.64 1 10 -3 171 389.369 9 ↓
Lo Low (pH 4.5-6) 0.23 5.54 -100.99 2 10 -2 168 390.377 9 ↓

Analogs

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Popular Name: 2-[[2-[[6-(2-carboxyethyl)-5-oxo-4H-1,2,4-triazin-3-yl]sulfanyl]acetyl]amino]-5-chloro-benzoic 2-[[2-[[6-(2-carboxyethyl)-5-oxo…

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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) 1.96 4.11 -161.21 1 10 -3 171 409.787 8 ↓
Lo Low (pH 4.5-6) 1.50 5.6 -95.99 2 10 -2 168 410.795 8 ↓

Analogs

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Popular Name: 2-[[2-[[6-(2-carboxyethyl)-5-oxo-4H-1,2,4-triazin-3-yl]sulfanyl]acetyl]amino]-3-methyl-benzoic 2-[[2-[[6-(2-carboxyethyl)-5-oxo…

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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) 0.77 4.39 -170.67 1 10 -3 171 389.369 8 ↓
Lo Low (pH 4.5-6) 0.31 5.87 -103.02 2 10 -2 168 390.377 8 ↓

Analogs

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Popular Name: 2-[[2-[[6-(2-carboxyethyl)-5-oxo-4H-1,2,4-triazin-3-yl]sulfanyl]acetyl]amino]-4-fluoro-benzoic 2-[[2-[[6-(2-carboxyethyl)-5-oxo…

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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) 1.44 3.69 -161.93 1 10 -3 171 393.332 8 ↓
Lo Low (pH 4.5-6) 0.98 5.17 -95.06 2 10 -2 168 394.34 8 ↓

Analogs

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Popular Name: 3-[3-[2-[[4-nitro-3-(trifluoromethyl)phenyl]amino]-2-oxo-ethyl]sulfanyl-5-oxo-4H-1,2,4-triazin-6-yl] 3-[3-[2-[[4-nitro-3-(trifluorome…

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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) 2.04 4.18 -107.88 1 11 -2 177 445.335 9 ↓
Lo Low (pH 4.5-6) 1.58 5.67 -57.94 2 11 -1 174 446.343 9 ↓

Analogs

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Popular Name: 3-[3-[2-[(5-chloro-2,4-dimethoxy-phenyl)amino]-2-oxo-ethyl]sulfanyl-5-oxo-4H-1,2,4-triazin-6-yl]prop 3-[3-[2-[(5-chloro-2,4-dimethoxy…

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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) 1.91 1.99 -111.04 1 10 -2 149 426.838 9 ↓
Lo Low (pH 4.5-6) 1.45 3.47 -56.03 2 10 -1 146 427.846 9 ↓

Analogs

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Popular Name: 3-[3-[2-[(4-methylsulfonylphenyl)amino]-2-oxo-ethyl]sulfanyl-5-oxo-4H-1,2,4-triazin-6-yl]propanoic 3-[3-[2-[(4-methylsulfonylphenyl…

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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) 0.13 0.26 -114.79 1 10 -2 165 410.433 8 ↓
Lo Low (pH 4.5-6) -0.33 1.75 -61.49 2 10 -1 162 411.441 8 ↓

Analogs

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Popular Name: 3-[3-[2-[(3-iodo-4-methyl-phenyl)amino]-2-oxo-ethyl]sulfanyl-5-oxo-4H-1,2,4-triazin-6-yl]propanoic 3-[3-[2-[(3-iodo-4-methyl-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) 2.72 4.35 -106.56 1 8 -2 131 472.264 7 ↓
Lo Low (pH 4.5-6) 2.26 5.84 -52.82 2 8 -1 128 473.272 7 ↓

Analogs

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Popular Name: 3-[3-[2-[[4-bromo-3-(trifluoromethyl)phenyl]amino]-2-oxo-ethyl]sulfanyl-5-oxo-4H-1,2,4-triazin-6-yl] 3-[3-[2-[[4-bromo-3-(trifluorome…

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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) 2.89 4.22 -105.65 1 8 -2 131 479.234 8 ↓
Lo Low (pH 4.5-6) 2.43 5.7 -53.69 2 8 -1 128 480.242 8 ↓

Analogs

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Popular Name: 3-[3-[2-[(4-bromo-2-chloro-phenyl)amino]-2-oxo-ethyl]sulfanyl-5-oxo-4H-1,2,4-triazin-6-yl]propanoic 3-[3-[2-[(4-bromo-2-chloro-pheny…

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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) 2.67 3.95 -104.33 1 8 -2 131 445.682 7 ↓
Lo Low (pH 4.5-6) 2.22 5.43 -51.53 2 8 -1 128 446.69 7 ↓

Analogs

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Popular Name: 3-[3-[2-[(2-bromo-4,6-difluoro-phenyl)amino]-2-oxo-ethyl]sulfanyl-5-oxo-4H-1,2,4-triazin-6-yl]propan 3-[3-[2-[(2-bromo-4,6-difluoro-p…

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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) 2.25 3.74 -107.17 1 8 -2 131 447.217 7 ↓
Lo Low (pH 4.5-6) 1.79 5.23 -52.97 2 8 -1 128 448.225 7 ↓

Analogs

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Popular Name: 3-[3-[2-[[4-(difluoromethylsulfonyl)phenyl]amino]-2-oxo-ethyl]sulfanyl-5-oxo-4H-1,2,4-triazin-6-yl]p 3-[3-[2-[[4-(difluoromethylsulfo…

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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) 0.68 0.64 -113.5 1 10 -2 165 446.413 9 ↓
Lo Low (pH 4.5-6) 0.23 2.14 -59.68 2 10 -1 162 447.421 9 ↓

Analogs

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Popular Name: 3-[3-[2-[(4-chloro-2,5-dimethoxy-phenyl)amino]-2-oxo-ethyl]sulfanyl-5-oxo-4H-1,2,4-triazin-6-yl]prop 3-[3-[2-[(4-chloro-2,5-dimethoxy…

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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) 1.91 1.99 -107.49 1 10 -2 149 426.838 9 ↓
Lo Low (pH 4.5-6) 1.45 3.48 -54.3 2 10 -1 146 427.846 9 ↓

Analogs

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Popular Name: 3-[3-[2-[[3-(dimethylsulfamoyl)-4-ethoxy-phenyl]amino]-2-oxo-ethyl]sulfanyl-5-oxo-4H-1,2,4-triazin-6 3-[3-[2-[[3-(dimethylsulfamoyl)-…

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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) 0.93 1.49 -112.68 1 12 -2 178 483.528 11 ↓
Lo Low (pH 4.5-6) 0.47 2.97 -59.87 2 12 -1 174 484.536 11 ↓

Analogs

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Popular Name: 3-[3-[2-[[5-(dimethylsulfamoyl)-2,3-dimethyl-phenyl]amino]-2-oxo-ethyl]sulfanyl-5-oxo-4H-1,2,4-triaz 3-[3-[2-[[5-(dimethylsulfamoyl)-…

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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) 1.32 2.14 -115.19 1 11 -2 168 467.529 9 ↓
Lo Low (pH 4.5-6) 0.87 3.59 -60.67 2 11 -1 165 468.537 9 ↓

Analogs

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Popular Name: 3-[3-[2-[[4-[(E)-3-ethoxy-3-oxo-prop-1-enyl]phenyl]amino]-2-oxo-ethyl]sulfanyl-5-oxo-4H-1,2,4-triazi 3-[3-[2-[[4-[(E)-3-ethoxy-3-oxo-…

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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) 2.22 5.54 -110.74 1 10 -2 157 430.442 11 ↓
Lo Low (pH 4.5-6) 1.76 7.02 -57.11 2 10 -1 154 431.45 11 ↓

Analogs

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Popular Name: 3-[3-[2-[(3,5-difluorophenyl)amino]-2-oxo-ethyl]sulfanyl-5-oxo-4H-1,2,4-triazin-6-yl]propanoic 3-[3-[2-[(3,5-difluorophenyl)ami…

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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) 1.51 2.85 -106.9 1 8 -2 131 368.321 7 ↓
Lo Low (pH 4.5-6) 1.06 4.33 -53.71 2 8 -1 128 369.329 7 ↓

Analogs

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Popular Name: (2S)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(2,3,4-trifluorophenyl)butanamide (2S)-2-[(6-methyl-5-oxo-4H-1,2,4…

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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) 2.76 2.8 -45.47 1 6 -1 91 357.337 5 ↓
Lo Low (pH 4.5-6) 2.30 4.27 -14.43 2 6 0 88 358.345 5 ↓

Analogs

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Popular Name: N-(4-bromo-3-methyl-phenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide N-(4-bromo-3-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) 2.73 2.48 -44.24 1 6 -1 91 368.236 4 ↓
Lo Low (pH 4.5-6) 2.27 3.8 -13.13 2 6 0 88 369.244 4 ↓

Parameters Provided:

ring.id = 40335
filter.purchasability = annotated
page.format = targets
page.num = 1

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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 = 40335 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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