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) 2.96 1.46 -14.53 1 8 0 99 409.471 9 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.51 1.21 -18.12 1 11 0 144 470.511 11 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.51 1.19 -20.03 1 11 0 144 470.511 11 ↓

Analogs

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Popular Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[4-(3-dimethylaminopropyl)-5-(4-pyridyl)-1,2,4-triazol-3-y N-[2-chloro-5-(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) 3.81 2.41 -52.35 2 7 1 77 499.97 10 ↓

Analogs

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Popular Name: N-(5-chloro-2-methoxy-phenyl)-2-[[4-(3-dimethylaminopropyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfany N-(5-chloro-2-methoxy-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) 2.97 0.22 -52.6 2 8 1 86 461.999 10 ↓

Analogs

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Popular Name: 2-[[4-(3-dimethylaminopropyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)-acetamide 2-[[4-(3-dimethylaminopropyl)-5-…

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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) 2.27 0.73 -58.44 2 10 1 122 442.525 10 ↓

Analogs

6601149
6601149

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Popular Name: N-(2,4-dimethoxyphenyl)-2-[[4-(3-dimethylaminopropyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acet N-(2,4-dimethoxyphenyl)-2-[[4-(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) 2.35 0.38 -54.23 2 9 1 95 457.58 11 ↓

Analogs

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Popular Name: 2-[[4-(3-dimethylaminopropyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)pheny 2-[[4-(3-dimethylaminopropyl)-5-…

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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) 3.18 2.39 -53.63 2 7 1 77 465.525 10 ↓

Analogs

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Popular Name: 2-[[4-(3-dimethylaminopropyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-iodophenyl)-acetamide 2-[[4-(3-dimethylaminopropyl)-5-…

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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) 3.37 -0.62 -52.97 2 7 1 77 523.424 9 ↓

Analogs

39767464
39767464

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Popular Name: 2-[[4-(3-dimethylaminopropyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)-acetamide 2-[[4-(3-dimethylaminopropyl)-5-…

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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) 2.24 0.73 -59.68 2 10 1 122 442.525 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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) 2.61 1.73 -54.41 2 9 1 103 455.564 11 ↓

Analogs

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Popular Name: 2-[[4-amino-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)-acetamide 2-[[4-amino-5-(4-pyridyl)-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) 1.35 -3.32 -17.83 3 10 0 144 371.382 6 ↓

Analogs

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Popular Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-[[4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ac 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) 3.42 9.48 -13.37 1 7 0 82 431.949 8 ↓

Analogs

13010527
13010527

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Popular Name: (2S)-N-(2,5-dimethylphenyl)-2-[[4-(3-ethoxypropyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propana (2S)-N-(2,5-dimethylphenyl)-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) 3.83 11.42 -13.96 1 7 0 82 439.585 10 ↓

Analogs

13010525
13010525

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Popular Name: (2R)-N-(2,5-dimethylphenyl)-2-[[4-(3-ethoxypropyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propana (2R)-N-(2,5-dimethylphenyl)-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) 3.83 11.4 -13.7 1 7 0 82 439.585 10 ↓

Analogs

13010821
13010821

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Popular Name: (2S)-2-[[4-(3-ethoxypropyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-isopropylphenyl)propanam (2S)-2-[[4-(3-ethoxypropyl)-5-(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) 3.99 12.01 -13.18 1 7 0 82 453.612 11 ↓

Analogs

13010820
13010820

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Popular Name: (2R)-2-[[4-(3-ethoxypropyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-isopropylphenyl)propanam (2R)-2-[[4-(3-ethoxypropyl)-5-(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) 3.99 12.03 -13.2 1 7 0 82 453.612 11 ↓

Analogs

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Popular Name: 2-[[2-[[4-(3-ethoxypropyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]terephthalic 2-[[2-[[4-(3-ethoxypropyl)-5-(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) 2.57 8.76 -108.77 1 11 -2 162 483.506 12 ↓

Analogs

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Popular Name: 2-[[2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]terephthalic 2-[[2-[[4-propyl-5-(4-pyridyl)-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) 2.82 8.73 -107.12 1 10 -2 153 439.453 9 ↓

Analogs

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Popular Name: N-(2-methoxy-4-nitro-phenyl)-2-[[5-(4-pyridyl)-4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]sulfanyl] N-(2-methoxy-4-nitro-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) 2.88 8.74 -15.65 1 10 0 128 468.417 9 ↓

Analogs

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Popular Name: 2-[[2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]terephthalic 2-[[2-[[4-allyl-5-(4-pyridyl)-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) 2.58 8.52 -106.19 1 10 -2 153 437.437 9 ↓

Analogs

4860963
4860963
7299363
7299363
7299364
7299364

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Popular Name: (2S)-2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)propanamide (2S)-2-[[4-propyl-5-(4-pyridyl)-…

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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) 3.51 11.93 -13.34 1 6 0 73 409.559 7 ↓

Analogs

39744926
39744926
39744928
39744928
4860963
4860963
7299363
7299363
7299364
7299364

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Popular Name: (2R)-2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)propanamide (2R)-2-[[4-propyl-5-(4-pyridyl)-…

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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) 3.51 11.96 -13.36 1 6 0 73 409.559 7 ↓

Analogs

39748896
39748896

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Popular Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide N-[2-(cyanomethylsulfanyl)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) 3.06 10.89 -18.42 1 7 0 97 424.555 9 ↓

Analogs

648813
648813

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Popular Name: N-(2-ethyl-6-methyl-phenyl)-2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]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) 2.34 0.21 -13.43 1 6 0 72 367.478 6 ↓

Analogs

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Popular Name: N-(4-fluorophenyl)-2-[[4-(3-methoxypropyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide N-(4-fluorophenyl)-2-[[4-(3-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) 2.43 -0.3 -15.08 1 7 0 81 401.467 9 ↓

Analogs

4169273
4169273
4169278
4169278
4169280
4169280
4169281
4169281
4169282
4169282

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Popular Name: 2-[[4-(3-methoxypropyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(p-tolyl)acetamide 2-[[4-(3-methoxypropyl)-5-(4-pyr…

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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) 2.71 -0.72 -14.73 1 7 0 81 397.504 9 ↓

Analogs

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Popular Name: N-(3-hydroxyphenyl)-2-[[4-(3-methoxypropyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide N-(3-hydroxyphenyl)-2-[[4-(3-met…

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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) 1.76 -3.01 -17.47 2 8 0 102 399.476 9 ↓

Analogs

4169274
4169274
10612396
10612396
4169269
4169269

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Popular Name: N-(2,4-dimethylphenyl)-2-[[4-(3-methoxypropyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide N-(2,4-dimethylphenyl)-2-[[4-(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) 3.09 -0.14 -14.56 1 7 0 81 411.531 9 ↓

Analogs

4169275
4169275
4169277
4169277
4169278
4169278
4169280
4169280
4169281
4169281

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Popular Name: 2-[[4-(3-methoxypropyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(o-tolyl)acetamide 2-[[4-(3-methoxypropyl)-5-(4-pyr…

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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) 2.66 -0.47 -14.51 1 7 0 81 397.504 9 ↓

Analogs

10612389
10612389
4169274
4169274

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Popular Name: N-(2,3-dimethylphenyl)-2-[[4-(3-methoxypropyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide N-(2,3-dimethylphenyl)-2-[[4-(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) 3.06 -0.24 -14.63 1 7 0 81 411.531 9 ↓

Analogs

4169280
4169280
4169274
4169274

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Popular Name: N-(2-ethyl-6-methyl-phenyl)-2-[[4-(3-methoxypropyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetam 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) 2.59 0.09 -13.75 1 7 0 81 425.558 10 ↓

Analogs

4161372
4161372
4169269
4169269
4169274
4169274

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Popular Name: 2-[[4-(3-methoxypropyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide 2-[[4-(3-methoxypropyl)-5-(4-pyr…

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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) 2.26 8.2 -14.88 1 7 0 82 383.477 9 ↓

Analogs

4169269
4169269
4169274
4169274
4169277
4169277

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Popular Name: N-(2-ethylphenyl)-2-[[4-(3-methoxypropyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide N-(2-ethylphenyl)-2-[[4-(3-metho…

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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 -0.23 -14.05 1 7 0 81 411.531 10 ↓

Analogs

4169269
4169269
4169274
4169274

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Popular Name: N-(4-ethylphenyl)-2-[[4-(3-methoxypropyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide N-(4-ethylphenyl)-2-[[4-(3-metho…

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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) 3.18 -0.56 -14.54 1 7 0 81 411.531 10 ↓

Analogs

4169289
4169289
4169269
4169269

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Popular Name: 2-[[4-(3-methoxypropyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(m-tolyl)acetamide 2-[[4-(3-methoxypropyl)-5-(4-pyr…

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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) 2.69 -0.71 -14.62 1 7 0 81 397.504 9 ↓

Analogs

4169269
4169269
4169282
4169282

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Popular Name: N-(3,5-dimethylphenyl)-2-[[4-(3-methoxypropyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide N-(3,5-dimethylphenyl)-2-[[4-(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) 3.09 -0.38 -14.69 1 7 0 81 411.531 9 ↓

Analogs

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Popular Name: N-(4-chlorophenyl)-2-[[4-(3-methoxypropyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide N-(4-chlorophenyl)-2-[[4-(3-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) 2.94 -1.19 -14.54 1 7 0 81 417.922 9 ↓

Analogs

2615891
2615891

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Popular Name: N-(3-chlorophenyl)-2-[[4-(3-methoxypropyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide N-(3-chlorophenyl)-2-[[4-(3-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) 2.92 -1.19 -15.86 1 7 0 81 417.922 9 ↓

Analogs

9640966
9640966

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Popular Name: N-(3-methoxyphenyl)-2-[[4-(3-methoxypropyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide N-(3-methoxyphenyl)-2-[[4-(3-met…

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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) 2.29 -1.02 -17.53 1 8 0 91 413.503 10 ↓

Analogs

8232313
8232313
39751020
39751020
39751642
39751642

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Popular Name: 2-[[4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)-acetamide 2-[[4-(2-methoxyethyl)-5-(4-pyri…

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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) 2.05 -1.15 -14.06 1 8 0 91 399.476 9 ↓

Analogs

8232270
8232270
8232275
8232275
28364656
28364656
2622857
2622857
2624716
2624716

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Popular Name: N-(4-fluorophenyl)-2-[[4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide N-(4-fluorophenyl)-2-[[4-(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) 2.16 -0.42 -12.99 1 7 0 81 387.44 8 ↓

Analogs

5697529
5697529
2623320
2623320

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Popular Name: N-(2,4-dimethylphenyl)-2-[[4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide N-(2,4-dimethylphenyl)-2-[[4-(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) 2.82 -0.26 -12.53 1 7 0 81 397.504 8 ↓

Analogs

39762746
39762746
2624267
2624267

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Popular Name: N-(2,3-dimethylphenyl)-2-[[4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide N-(2,3-dimethylphenyl)-2-[[4-(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) 2.79 -0.35 -12.61 1 7 0 81 397.504 8 ↓

Analogs

8232176
8232176
25759535
25759535
39766854
39766854

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Popular Name: N-(2-ethylphenyl)-2-[[4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide N-(2-ethylphenyl)-2-[[4-(2-metho…

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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) 2.86 -0.35 -11.95 1 7 0 81 397.504 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)-acetamide 2-[[4-(2-methoxyethyl)-5-(4-pyri…

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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 -1.12 -13.12 1 8 0 91 399.476 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-butyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-chlorophenyl)-acetamide 2-[[4-butyl-5-(4-pyridyl)-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) 4.08 -0.21 -11.48 1 6 0 72 401.923 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-butyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)-acetamide 2-[[4-butyl-5-(4-pyridyl)-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) 3.45 -0.1 -13.16 1 7 0 81 397.504 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-butyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-hydroxyphenyl)-acetamide 2-[[4-butyl-5-(4-pyridyl)-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) 2.94 -2.2 -14.22 2 7 0 92 383.477 8 ↓

Analogs

4161388
4161388

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-butyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,5-dimethylphenyl)-acetamide 2-[[4-butyl-5-(4-pyridyl)-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) 4.27 0.66 -13.1 1 6 0 72 395.532 8 ↓

Parameters Provided:

ring.id = 3931
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 = 3931 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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