UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

9309190
9309190
9309460
9309460
36801451
36801451

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Popular Name: N-(2,3-dimethylphenyl)-2-[[5-(3-isopropoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ac N-(2,3-dimethylphenyl)-2-[[5-(3-…

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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) 6.20 14.3 -14.11 1 7 0 78 502.64 9 ↓

Analogs

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Popular Name: N-methyl-4-[[2-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide N-methyl-4-[[2-[[5-phenyl-4-(p-t…

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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) 4.21 11.63 -21.3 2 7 0 89 457.559 7 ↓

Analogs

12633417
12633417

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Popular Name: N-ethyl-3-[[2-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide N-ethyl-3-[[2-[[5-phenyl-4-(p-to…

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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 12.48 -18.11 2 7 0 89 471.586 8 ↓

Analogs

8641601
8641601

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Popular Name: 4-[[2-[[5-(4-chlorophenyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-methyl-benzamide 4-[[2-[[5-(4-chlorophenyl)-4-(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) 4.89 12.15 -19.61 2 7 0 89 492.004 7 ↓

Analogs

21738794
21738794
21738797
21738797
23547242
23547242

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Popular Name: 2-[[5-(2-fluorophenyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-6-nitro-phenyl)acetamide 2-[[5-(2-fluorophenyl)-4-(p-toly…

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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) 5.45 15.26 -19.3 1 8 0 106 477.521 7 ↓

Analogs

36824947
36824947
6280733
6280733
863273
863273

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Popular Name: 2-[[5-(4-methoxyphenyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-5-nitro-phenyl)acetamid 2-[[5-(4-methoxyphenyl)-4-(p-tol…

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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) 5.41 14.13 -22.31 1 9 0 115 489.557 8 ↓

Analogs

28786742
28786742

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Popular Name: 2-[[5-(4-methoxyphenyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-6-nitro-phenyl)acetamid 2-[[5-(4-methoxyphenyl)-4-(p-tol…

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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) 5.39 14.37 -16.15 1 9 0 115 489.557 8 ↓

Analogs

20896155
20896155

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Popular Name: (2R)-2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide (2R)-2-[[5-(4-fluorophenyl)-4-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) 3.79 8.29 -23.74 3 8 0 120 497.577 7 ↓

Analogs

20896152
20896152

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Popular Name: (2S)-2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide (2S)-2-[[5-(4-fluorophenyl)-4-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) 3.79 8.28 -23.93 3 8 0 120 497.577 7 ↓

Analogs

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Popular Name: 2-[[5-(2-fluorophenyl)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylsulfanylphenyl)-ac 2-[[5-(2-fluorophenyl)-4-(4-fluo…

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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) 5.28 1.88 -16.27 1 5 0 60 468.554 7 ↓

Analogs

39759899
39759899
39767582
39767582

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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) 5.18 13.49 -20.65 1 8 0 95 488.569 9 ↓

Analogs

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Popular Name: N-(3-chloro-4-cyano-phenyl)-2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]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) 4.99 12.77 -16.27 1 7 0 93 475.961 7 ↓

Analogs

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Popular Name: N-[4-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]phenyl]-2,2-dimethyl-propanamide N-[4-[[2-[(4,5-diphenyl-1,2,4-tr…

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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) 5.45 13.55 -21.2 2 7 0 89 485.613 8 ↓

Analogs

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Popular Name: (E)-3-[4-[[2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]phenyl]prop-2-en (E)-3-[4-[[2-[[5-(4-chlorophenyl…

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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) 5.22 14.07 -61.11 1 7 -1 100 489.964 8 ↓

Analogs

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Popular Name: (E)-3-[4-[[2-[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]phenyl]prop-2-enoic (E)-3-[4-[[2-[[4,5-bis(4-fluorop…

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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) 4.87 13.69 -60.37 1 7 -1 100 491.499 8 ↓

Analogs

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Popular Name: N-[4-(difluoromethoxy)phenyl]-2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide N-[4-(difluoromethoxy)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) 5.35 12.29 -16.28 1 6 0 69 470.476 8 ↓

Analogs

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Popular Name: 2-[[2-[[4,5-bis(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic 2-[[2-[[4,5-bis(p-tolyl)-1,2,4-t…

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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) 5.51 13.97 -56.07 1 7 -1 100 457.535 7 ↓

Analogs

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Popular Name: 4-[[2-[[4,5-bis(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic 4-[[2-[[4,5-bis(p-tolyl)-1,2,4-t…

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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) 5.38 13.69 -61.09 1 7 -1 100 457.535 7 ↓

Analogs

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Popular Name: 3-[[2-[[4,5-bis(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic 3-[[2-[[4,5-bis(p-tolyl)-1,2,4-t…

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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) 5.36 13.67 -68.29 1 7 -1 100 457.535 7 ↓

Analogs

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Popular Name: 3-[[2-[[4,5-bis(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4-chloro-benzoic 3-[[2-[[4,5-bis(p-tolyl)-1,2,4-t…

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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) 5.99 14.28 -60.04 1 7 -1 100 491.98 7 ↓

Analogs

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Popular Name: 3-[[2-[[4,5-bis(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4-methyl-benzoic 3-[[2-[[4,5-bis(p-tolyl)-1,2,4-t…

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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) 5.76 14.49 -68.82 1 7 -1 100 471.562 7 ↓

Analogs

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Popular Name: (E)-3-[4-[[2-[[4,5-bis(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]phenyl]prop-2-enoic (E)-3-[4-[[2-[[4,5-bis(p-tolyl)-…

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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) 5.44 14.9 -62.41 1 7 -1 100 483.573 8 ↓

Analogs

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Popular Name: (E)-3-[4-[[2-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]phenyl]prop- (E)-3-[4-[[2-[[4-(3,4-dimethylph…

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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) 5.58 14.75 -62.81 1 7 -1 100 483.573 8 ↓

Analogs

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Popular Name: 2-[[2-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]terephthalic 2-[[2-[[4-(4-fluorophenyl)-5-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) 4.67 12.37 -107.85 1 9 -2 140 490.472 8 ↓

Analogs

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Popular Name: (E)-3-[4-[[2-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]phenyl]prop-2-en (E)-3-[4-[[2-[[4-(4-fluorophenyl…

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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) 4.71 13.58 -59.86 1 7 -1 100 473.509 8 ↓

Analogs

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Popular Name: (E)-3-[4-[[2-[[4-(2,4-difluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]phenyl]prop- (E)-3-[4-[[2-[[4-(2,4-difluoroph…

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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) 5.01 13.74 -63.37 1 7 -1 100 491.499 8 ↓

Analogs

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Popular Name: (E)-3-[4-[[2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]phenyl]prop-2-e (E)-3-[4-[[2-[[5-(4-methoxypheny…

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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) 4.60 12.84 -62.9 1 8 -1 109 485.545 9 ↓

Analogs

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Popular Name: (E)-3-[4-[[2-[[5-(2-fluorophenyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]phenyl]prop-2 (E)-3-[4-[[2-[[5-(2-fluorophenyl…

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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) 5.11 14.43 -65.19 1 7 -1 100 487.536 8 ↓

Analogs

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Popular Name: 2-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(4-dimethylaminophenyl)acetami 2-[[4-(4-chlorophenyl)-5-(4-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) 5.41 0.5 -13.75 1 7 0 72 494.02 8 ↓

Analogs

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Popular Name: 4-[[2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]benzamide 4-[[2-[[5-(4-tert-butylphenyl)-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) 5.15 -0.75 -17.46 3 8 0 112 515.639 9 ↓

Analogs

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Popular Name: N-(5-acetamido-2-methoxy-phenyl)-2-[[5-(4-chlorophenyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]acetamid N-(5-acetamido-2-methoxy-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) 4.90 12.19 -16.49 2 8 0 98 522.03 8 ↓

Analogs

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Popular Name: N-(3-chlorophenyl)-2-[[5-(4-chlorophenyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]acetamide N-(3-chlorophenyl)-2-[[5-(4-chlo…

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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) 6.35 0.81 -13.03 1 5 0 59 469.397 6 ↓

Analogs

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Popular Name: 2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(3-chloro-2-methyl-phenyl) 2-[[5-(4-tert-butylphenyl)-4-(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) 7.37 2.36 -12.06 1 6 0 69 521.086 8 ↓

Analogs

39748486
39748486

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Popular Name: N-(2-bromo-4,6-difluoro-phenyl)-2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]th N-(2-bromo-4,6-difluoro-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) 7.33 15.29 -12.45 1 6 0 69 587.49 8 ↓

Analogs

2170829
2170829

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Popular Name: 2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-p-phenetyl-acetamide 2-[[5-(4-tert-butylphenyl)-4-(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) 6.77 1.97 -14.32 1 7 0 78 516.667 10 ↓

Analogs

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Popular Name: N-(2,5-dichlorophenyl)-2-{[5-(2-hydroxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide N-(2,5-dichlorophenyl)-2-{[5-(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) 5.59 11.19 -14.83 2 6 0 80 471.369 6 ↓

Analogs

6474790
6474790

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Popular Name: 2-{[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-dichlorophenyl)acetamide 2-{[5-(4-bromophenyl)-4-phenyl-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) 6.64 0.12 -12.79 1 5 0 59 534.266 6 ↓

Analogs

39741573
39741573
39751639
39751639
39752364
39752364
39759186
39759186
39767514
39767514

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Popular Name: N-(3-bromophenyl)-2-{[5-(2-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide N-(3-bromophenyl)-2-{[5-(2-methy…

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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) 5.76 0.39 -14.69 1 5 0 59 479.403 6 ↓

Analogs

6280539
6280539

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Popular Name: 2-{[5-(3-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chlorophenyl)acetamide 2-{[5-(3-bromophenyl)-4-phenyl-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) 6.01 -0.13 -14.83 1 5 0 59 499.821 6 ↓

Analogs

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Popular Name: N-(4-iodophenyl)-2-{[5-(3-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide N-(4-iodophenyl)-2-{[5-(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) 6.08 0.27 -13.54 1 5 0 59 526.403 6 ↓

Analogs

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Popular Name: N-(3-chlorophenyl)-2-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide N-(3-chlorophenyl)-2-[[5-(2-chlo…

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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) 5.86 0.51 -16.31 1 5 0 59 455.37 6 ↓

Analogs

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Popular Name: 2-{[5-(4-bromophenyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chlorophenyl)acetamide 2-{[5-(4-bromophenyl)-4-(3-methy…

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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) 6.69 0.19 -11.75 1 5 0 59 513.848 6 ↓

Analogs

39749511
39749511

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Popular Name: 2-{[4-(3,4-dimethylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-ethylphenyl)acetamide 2-{[4-(3,4-dimethylphenyl)-5-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) 6.52 1.87 -13.64 1 1 0 59 442.588 5 ↓

Analogs

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Popular Name: 2-{[5-(4-chlorophenyl)-4-(4-ethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dimethylphenyl)acetamide 2-{[5-(4-chlorophenyl)-4-(4-ethy…

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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) 6.96 1.91 -11.67 1 1 0 59 477.033 5 ↓

Analogs

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Popular Name: N-(3-chloro-4-fluorophenyl)-2-{[4-(4-ethoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide N-(3-chloro-4-fluorophenyl)-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) 5.77 1.37 -13.16 1 1 0 69 482.968 6 ↓

Analogs

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Popular Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-{[4-(4-ethoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide N-[4-chloro-3-(trifluoromethyl)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) 6.50 2.73 -13.22 2 1 0 69 532.975 6 ↓

Analogs

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Popular Name: 2-[[5-(3-chlorophenyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]-N-(2-ethylphenyl)acetamide 2-[[5-(3-chlorophenyl)-4-(p-toly…

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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) 6.54 1.72 -12.72 1 5 0 59 463.006 7 ↓

Analogs

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Popular Name: N-(3-chloro-4-fluoro-phenyl)-2-[[5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide N-(3-chloro-4-fluoro-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) 5.35 12.79 -18.62 1 6 0 69 468.941 7 ↓

Analogs

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Popular Name: N-(3-cyanophenyl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide N-(3-cyanophenyl)-2-[(4,5-diphen…

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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) 4.30 13.05 -18.53 1 6 0 84 411.49 6 ↓

Analogs

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Popular Name: (2S)-N-(2-chlorophenyl)-2-[[4-(4-chlorophenyl)-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propa (2S)-N-(2-chlorophenyl)-2-[[4-(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) 6.25 14.07 -12.54 1 6 0 69 499.423 7 ↓

Parameters Provided:

ring.id = 1115
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 1115 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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