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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2378913
2378913

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Popular Name: N-(2,6-dimethylphenyl)-2-[[5-(3-isopropoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl]acetamide N-(2,6-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) 3.87 10.15 -12.79 2 6 0 80 396.516 7 ↓
Hi High (pH 8-9.5) 3.87 9.88 -46.78 1 6 -1 78 395.508 7 ↓

Analogs

21097188
21097188

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Popular Name: BRD-K05322000-001-01-6 BRD-K05322000-001-01-6

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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) 5.37 10.34 -20.68 2 5 0 71 386.908 6 ↓
Mid Mid (pH 6-8) 5.37 10.18 -48 1 5 -1 69 385.9 6 ↓

Analogs

7113701
7113701

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Popular Name: N-[2-(carbamoylmethylsulfanyl)phenyl]-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide N-[2-(carbamoylmethylsulfanyl)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) 2.35 5.86 -17.66 4 7 0 114 399.501 8 ↓
Hi High (pH 8-9.5) 2.35 5.66 -57.67 3 7 -1 112 398.493 8 ↓

Analogs

36213569
36213569

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Popular Name: (2S)-2-[[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide (2S)-2-[[5-(4-methoxyphenyl)-4H-…

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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 2.87 -18.5 4 9 0 140 433.515 7 ↓
Hi High (pH 8-9.5) 2.34 2.52 -51.57 3 9 -1 138 432.507 7 ↓

Analogs

36213566
36213566

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Popular Name: (2R)-2-[[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide (2R)-2-[[5-(4-methoxyphenyl)-4H-…

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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 2.87 -18.33 4 9 0 140 433.515 7 ↓
Hi High (pH 8-9.5) 2.34 2.51 -50.86 3 9 -1 138 432.507 7 ↓

Analogs

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Popular Name: N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[[5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl]acetami N-[3-chloro-4-(difluoromethoxy)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) 4.57 8.1 -27.32 2 6 0 80 428.823 7 ↓
Hi High (pH 8-9.5) 4.57 7.93 -52.96 1 6 -1 78 427.815 7 ↓

Analogs

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Popular Name: N-(2-bromo-4-methyl-phenyl)-2-[[5-(4-ethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl]acetamide N-(2-bromo-4-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) 5.33 10.65 -9.32 2 5 0 71 431.359 6 ↓
Hi High (pH 8-9.5) 5.33 10.45 -45.98 1 5 -1 69 430.351 6 ↓

Analogs

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Popular Name: 2-[[5-(2-bromophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-N-(4-fluorophenyl)acetamide 2-[[5-(2-bromophenyl)-4H-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) 4.78 11.27 -18.88 1 5 0 62 435.322 6 ↓
Hi High (pH 8-9.5) 4.78 11.11 -44.95 0 5 -1 60 434.314 6 ↓

Analogs

13113048
13113048
13113049
13113049

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Popular Name: (2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-(p-tolyl)-2H-1,2,4-triazol-3-yl]sulfanyl]propanami (2R)-N-[2-chloro-5-(trifluoromet…

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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) 5.54 10.95 -12.16 2 5 0 71 440.878 6 ↓
Hi High (pH 8-9.5) 5.54 10.79 -48.07 1 5 -1 69 439.87 6 ↓

Analogs

13113048
13113048
13113049
13113049

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Popular Name: (2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-(p-tolyl)-2H-1,2,4-triazol-3-yl]sulfanyl]propanami (2S)-N-[2-chloro-5-(trifluoromet…

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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) 5.54 10.94 -12.16 2 5 0 71 440.878 6 ↓
Hi High (pH 8-9.5) 5.54 10.78 -48.12 1 5 -1 69 439.87 6 ↓

Analogs

39767984
39767984

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Popular Name: (2R)-2-[[5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-N-phenyl-propanamide (2R)-2-[[5-(4-chlorophenyl)-4H-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) 4.89 11.17 -9.43 1 5 0 62 386.908 6 ↓
Hi High (pH 8-9.5) 4.89 10.83 -42.23 0 5 -1 60 385.9 6 ↓

Analogs

39767984
39767984

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Popular Name: (2S)-2-[[5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-N-phenyl-propanamide (2S)-2-[[5-(4-chlorophenyl)-4H-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) 4.89 11.5 -9.99 1 5 0 62 386.908 6 ↓
Hi High (pH 8-9.5) 4.89 11.15 -43.94 0 5 -1 60 385.9 6 ↓

Analogs

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Popular Name: (2R)-2-[[5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)propanamide (2R)-2-[[5-(4-chlorophenyl)-4H-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) 4.54 11.22 -17.28 2 5 0 71 400.935 5 ↓
Hi High (pH 8-9.5) 4.54 11.13 -42.23 1 5 -1 69 399.927 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)propanamide (2S)-2-[[5-(4-chlorophenyl)-4H-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) 4.54 11.02 -17.61 2 5 0 71 400.935 5 ↓
Hi High (pH 8-9.5) 4.54 10.92 -42.8 1 5 -1 69 399.927 5 ↓

Analogs

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Popular Name: N-(2-isopropylphenyl)-2-[(5-phenyl-2H-1,2,4-triazol-3-yl)sulfanyl]acetamide N-(2-isopropylphenyl)-2-[(5-phen…

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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) 4.22 9.96 -10.75 2 5 0 71 352.463 6 ↓

Analogs

14245127
14245127
5209756
5209756
5209762
5209762

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Popular Name: (2R)-N-(4-bromophenyl)-2-[[5-(p-tolyl)-4H-1,2,4-triazol-3-yl]sulfanyl]propanamide (2R)-N-(4-bromophenyl)-2-[[5-(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) 4.85 9.91 -10.64 2 5 0 71 417.332 5 ↓
Hi High (pH 8-9.5) 4.85 9.55 -46.05 1 5 -1 69 416.324 5 ↓

Analogs

5209756
5209756
5209762
5209762
14245126
14245126

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Popular Name: (2S)-N-(4-bromophenyl)-2-[[5-(p-tolyl)-4H-1,2,4-triazol-3-yl]sulfanyl]propanamide (2S)-N-(4-bromophenyl)-2-[[5-(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) 4.85 9.9 -10.77 2 5 0 71 417.332 5 ↓
Hi High (pH 8-9.5) 4.85 9.56 -46.47 1 5 -1 69 416.324 5 ↓

Analogs

3408149
3408149

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Popular Name: 2-[[3-(4-bromophenyl)-1H-1,2,4-triazol-5-yl]thio]-N-(4-ethylphenyl)acetamide 2-[[3-(4-bromophenyl)-1H-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) 4.95 9.75 -18.7 2 5 0 71 417.332 6 ↓
Mid Mid (pH 6-8) 4.95 9.59 -44.27 1 5 -1 69 416.324 6 ↓

Analogs

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Popular Name: (2S)-2-[[5-(5-chloro-2-methoxy-phenyl)-4H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyanoethyl)-N-phenyl-pro (2S)-2-[[5-(5-chloro-2-methoxy-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) 3.96 11.16 -15.42 1 7 0 95 441.944 8 ↓
Hi High (pH 8-9.5) 3.96 10.83 -52.02 0 7 -1 93 440.936 8 ↓

Analogs

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Popular Name: (2R)-2-[[5-(5-chloro-2-methoxy-phenyl)-4H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyanoethyl)-N-phenyl-pro (2R)-2-[[5-(5-chloro-2-methoxy-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) 3.96 11.58 -15.46 1 7 0 95 441.944 8 ↓
Hi High (pH 8-9.5) 3.96 11.24 -51.68 0 7 -1 93 440.936 8 ↓

Analogs

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Popular Name: (2R)-2-[[5-(5-chloro-2-methoxy-phenyl)-4H-1,2,4-triazol-3-yl]sulfanyl]-N-[2-[(1R)-1-methylpropyl]phe (2R)-2-[[5-(5-chloro-2-methoxy-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) 5.59 11.49 -11.06 2 6 0 80 444.988 8 ↓

Analogs

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Popular Name: (2R)-2-[[5-(5-chloro-2-methoxy-phenyl)-4H-1,2,4-triazol-3-yl]sulfanyl]-N-[2-[(1S)-1-methylpropyl]phe (2R)-2-[[5-(5-chloro-2-methoxy-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) 5.59 11.47 -11.11 2 6 0 80 444.988 8 ↓

Analogs

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Popular Name: (2S)-2-[[5-(5-chloro-2-methoxy-phenyl)-4H-1,2,4-triazol-3-yl]sulfanyl]-N-[2-[(1R)-1-methylpropyl]phe (2S)-2-[[5-(5-chloro-2-methoxy-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) 5.59 11.48 -10.99 2 6 0 80 444.988 8 ↓

Analogs

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Popular Name: (2S)-2-[[5-(5-chloro-2-methoxy-phenyl)-4H-1,2,4-triazol-3-yl]sulfanyl]-N-[2-[(1S)-1-methylpropyl]phe (2S)-2-[[5-(5-chloro-2-methoxy-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) 5.59 11.48 -11.05 2 6 0 80 444.988 8 ↓

Analogs

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Popular Name: (2R)-2-[[5-(5-chloro-2-methoxy-phenyl)-4H-1,2,4-triazol-3-yl]sulfanyl]-N-(o-tolyl)propanamide (2R)-2-[[5-(5-chloro-2-methoxy-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) 4.66 9.58 -11.98 2 6 0 80 402.907 6 ↓

Analogs

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Popular Name: (2S)-2-[[5-(5-chloro-2-methoxy-phenyl)-4H-1,2,4-triazol-3-yl]sulfanyl]-N-(o-tolyl)propanamide (2S)-2-[[5-(5-chloro-2-methoxy-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) 4.66 9.6 -11.93 2 6 0 80 402.907 6 ↓

Analogs

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Popular Name: 2-[[5-(5-chloro-2-methoxy-phenyl)-4H-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,6-trichlorophenyl)acetamide 2-[[5-(5-chloro-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) 5.78 9.75 -11.47 2 6 0 80 478.188 6 ↓

Analogs

42099244
42099244

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Popular Name: (2S)-N-(5-chloro-2-fluoro-phenyl)-2-[[5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl]propanamide (2S)-N-(5-chloro-2-fluoro-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) 4.48 9.36 -12.38 2 5 0 71 394.834 5 ↓
Hi High (pH 8-9.5) 4.48 9.02 -49.52 1 5 -1 69 393.826 5 ↓

Analogs

42099242
42099242

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Popular Name: (2R)-N-(5-chloro-2-fluoro-phenyl)-2-[[5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl]propanamide (2R)-N-(5-chloro-2-fluoro-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) 4.48 9.37 -12.43 2 5 0 71 394.834 5 ↓
Hi High (pH 8-9.5) 4.48 9.01 -49.47 1 5 -1 69 393.826 5 ↓

Parameters Provided:

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filter.purchasability = annotated
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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 = 1534 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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