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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(1-benzyl-1,2,4-triazol-3-yl)-1-methyl-pyrazole-4-sulfonamide N-(1-benzyl-1,2,4-triazol-3-yl)-…

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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) 0.52 -2.86 -18.42 1 8 0 94 318.362 5 ↓
Hi High (pH 8-9.5) 0.52 -2.3 -52.21 0 8 -1 96 317.354 5 ↓

Analogs

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Popular Name: N-[1-(3,4-dichlorobenzyl)-1,2,4-triazol-3-yl]-1-methyl-pyrazole-4-sulfonamide N-[1-(3,4-dichlorobenzyl)-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) 1.80 -3.15 -20.14 1 8 0 94 387.252 5 ↓
Hi High (pH 8-9.5) 1.80 -2.58 -51.44 0 8 -1 96 386.244 5 ↓

Analogs

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Popular Name: N-[1-(2,6-dichlorobenzyl)-1,2,4-triazol-3-yl]-1-methyl-pyrazole-4-sulfonamide N-[1-(2,6-dichlorobenzyl)-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) 1.78 -3.17 -16.31 1 8 0 94 387.252 5 ↓
Hi High (pH 8-9.5) 1.78 -2.61 -50.86 0 8 -1 96 386.244 5 ↓

Analogs

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Popular Name: N-[1-(4-fluorobenzyl)-1,2,4-triazol-3-yl]-1-methyl-pyrazole-4-sulfonamide N-[1-(4-fluorobenzyl)-1,2,4-tria…

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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 -2.11 -20.66 1 8 0 94 336.352 5 ↓
Hi High (pH 8-9.5) 0.68 -1.55 -52.93 0 8 -1 96 335.344 5 ↓

Analogs

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Popular Name: 1-ethyl-N-[1-(4-methylbenzyl)-1,2,4-triazol-3-yl]pyrazole-4-sulfonamide 1-ethyl-N-[1-(4-methylbenzyl)-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) 1.34 8.31 -18.27 1 8 0 95 346.416 6 ↓

Analogs

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Popular Name: N-[1-(2,4-dichlorobenzyl)-1,2,4-triazol-3-yl]-1-methyl-pyrazole-4-sulfonamide N-[1-(2,4-dichlorobenzyl)-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) 1.80 -3.14 -20.31 1 8 0 94 387.252 5 ↓
Hi High (pH 8-9.5) 1.80 -2.57 -53.45 0 8 -1 96 386.244 5 ↓

Analogs

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Popular Name: 3,5-dimethyl-N-[1-(4-methylbenzyl)-1,2,4-triazol-3-yl]-1H-pyrazole-4-sulfonamide 3,5-dimethyl-N-[1-(4-methylbenzy…

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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) 1.34 -3.55 -17.32 2 8 0 105 346.416 5 ↓
Hi High (pH 8-9.5) 1.34 -3 -51.09 1 8 -1 107 345.408 5 ↓

Analogs

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Popular Name: 1-(difluoromethyl)-3,5-dimethyl-N-[1-(4-methylbenzyl)-1,2,4-triazol-3-yl]pyrazole-4-sulfonamide 1-(difluoromethyl)-3,5-dimethyl-…

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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) 1.97 -0.37 -16.29 1 8 0 94 396.423 6 ↓
Hi High (pH 8-9.5) 1.97 0.19 -50.06 0 8 -1 96 395.415 6 ↓

Analogs

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Popular Name: N-[1-(4-chlorobenzyl)-1,2,4-triazol-3-yl]-1-methyl-pyrazole-4-sulfonamide N-[1-(4-chlorobenzyl)-1,2,4-tria…

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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) 1.20 -3 -19.85 1 8 0 94 352.807 5 ↓
Hi High (pH 8-9.5) 1.20 -2.43 -52.45 0 8 -1 96 351.799 5 ↓

Analogs

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Popular Name: N-[1-(3-fluorobenzyl)-1,2,4-triazol-3-yl]-1-methyl-pyrazole-4-sulfonamide N-[1-(3-fluorobenzyl)-1,2,4-tria…

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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) 0.66 -2.13 -19.4 1 8 0 94 336.352 5 ↓
Hi High (pH 8-9.5) 0.66 -1.56 -51.59 0 8 -1 96 335.344 5 ↓

Analogs

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Popular Name: N-[1-(2-fluorobenzyl)-1,2,4-triazol-3-yl]-1-methyl-pyrazole-4-sulfonamide N-[1-(2-fluorobenzyl)-1,2,4-tria…

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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) 0.63 -2.17 -17.6 1 8 0 94 336.352 5 ↓
Hi High (pH 8-9.5) 0.63 -1.6 -51.97 0 8 -1 96 335.344 5 ↓

Analogs

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Popular Name: 1-(difluoromethyl)-N-[1-(4-fluorobenzyl)-1,2,4-triazol-3-yl]-3,5-dimethyl-pyrazole-4-sulfonamide 1-(difluoromethyl)-N-[1-(4-fluor…

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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) 1.68 0.05 -18.15 1 8 0 94 400.386 6 ↓
Hi High (pH 8-9.5) 1.68 0.6 -49.68 0 8 -1 96 399.378 6 ↓

Analogs

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Popular Name: 1-methyl-N-[1-(4-methylbenzyl)-1,2,4-triazol-3-yl]pyrazole-4-sulfonamide 1-methyl-N-[1-(4-methylbenzyl)-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) 0.97 -2.53 -18.84 1 8 0 94 332.389 5 ↓
Hi High (pH 8-9.5) 0.97 -1.96 -53.31 0 8 -1 96 331.381 5 ↓

Analogs

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Popular Name: N-[1-(2-chloro-6-fluoro-benzyl)-1,2,4-triazol-3-yl]-1-methyl-pyrazole-4-sulfonamide N-[1-(2-chloro-6-fluoro-benzyl)-…

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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) 1.26 -2.33 -17.11 1 8 0 94 370.797 5 ↓
Hi High (pH 8-9.5) 1.26 -1.76 -51.87 0 8 -1 96 369.789 5 ↓

Analogs

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Popular Name: N-[1-(2-chloro-4-fluoro-benzyl)-1,2,4-triazol-3-yl]-1-methyl-pyrazole-4-sulfonamide N-[1-(2-chloro-4-fluoro-benzyl)-…

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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) 1.29 -2.25 -20.92 1 8 0 94 370.797 5 ↓
Hi High (pH 8-9.5) 1.29 -1.69 -53.89 0 8 -1 96 369.789 5 ↓

Analogs

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Popular Name: 1-ethyl-N-[1-(2-methylbenzyl)-1,2,4-triazol-3-yl]pyrazole-4-sulfonamide 1-ethyl-N-[1-(2-methylbenzyl)-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) 1.29 -2.48 -17.89 1 8 0 94 346.416 6 ↓

Analogs

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Popular Name: 1-ethyl-N-[1-(3-methylbenzyl)-1,2,4-triazol-3-yl]pyrazole-4-sulfonamide 1-ethyl-N-[1-(3-methylbenzyl)-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) 1.32 -2.49 -18.16 1 8 0 94 346.416 6 ↓
Hi High (pH 8-9.5) 1.32 -1.92 -52.59 0 8 -1 96 345.408 6 ↓

Analogs

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Popular Name: 3,5-dimethyl-N-[1-(2-methylbenzyl)-1,2,4-triazol-3-yl]-1H-pyrazole-4-sulfonamide 3,5-dimethyl-N-[1-(2-methylbenzy…

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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) 1.29 -3.6 -16.69 2 8 0 105 346.416 5 ↓
Hi High (pH 8-9.5) 1.29 -3.04 -50.07 1 8 -1 107 345.408 5 ↓

Analogs

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Popular Name: 1-(difluoromethyl)-3,5-dimethyl-N-[1-(2-methylbenzyl)-1,2,4-triazol-3-yl]pyrazole-4-sulfonamide 1-(difluoromethyl)-3,5-dimethyl-…

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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) 1.92 -0.41 -15.6 1 8 0 94 396.423 6 ↓
Hi High (pH 8-9.5) 1.92 0.14 -49.01 0 8 -1 96 395.415 6 ↓

Analogs

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Popular Name: N-[1-(2-chlorobenzyl)-1,2,4-triazol-3-yl]-1-methyl-pyrazole-4-sulfonamide N-[1-(2-chlorobenzyl)-1,2,4-tria…

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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) 1.15 -3.05 -16.48 1 8 0 94 352.807 5 ↓
Hi High (pH 8-9.5) 1.15 -2.48 -50.61 0 8 -1 96 351.799 5 ↓

Analogs

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Popular Name: N-[1-(3-chlorobenzyl)-1,2,4-triazol-3-yl]-1-methyl-pyrazole-4-sulfonamide N-[1-(3-chlorobenzyl)-1,2,4-tria…

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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) 1.17 -3.01 -18.62 1 8 0 94 352.807 5 ↓
Hi High (pH 8-9.5) 1.17 -2.45 -51.03 0 8 -1 96 351.799 5 ↓

Analogs

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Popular Name: 3,5-dimethyl-N-[1-(3-methylbenzyl)-1,2,4-triazol-3-yl]-1H-pyrazole-4-sulfonamide 3,5-dimethyl-N-[1-(3-methylbenzy…

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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 -3.61 -16.87 2 8 0 105 346.416 5 ↓
Hi High (pH 8-9.5) 1.32 -3.05 -50.7 1 8 -1 107 345.408 5 ↓

Analogs

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Popular Name: 1-(difluoromethyl)-3,5-dimethyl-N-[1-(3-methylbenzyl)-1,2,4-triazol-3-yl]pyrazole-4-sulfonamide 1-(difluoromethyl)-3,5-dimethyl-…

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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) 1.94 -0.43 -15.9 1 8 0 94 396.423 6 ↓
Hi High (pH 8-9.5) 1.94 0.13 -49.62 0 8 -1 96 395.415 6 ↓

Analogs

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Popular Name: 1-(difluoromethyl)-N-[1-(3-fluorobenzyl)-1,2,4-triazol-3-yl]-3,5-dimethyl-pyrazole-4-sulfonamide 1-(difluoromethyl)-N-[1-(3-fluor…

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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) 1.66 -0.01 -16.84 1 8 0 94 400.386 6 ↓
Hi High (pH 8-9.5) 1.66 0.55 -48.62 0 8 -1 96 399.378 6 ↓

Analogs

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Popular Name: 1-(difluoromethyl)-N-[1-(2-fluorobenzyl)-1,2,4-triazol-3-yl]-3,5-dimethyl-pyrazole-4-sulfonamide 1-(difluoromethyl)-N-[1-(2-fluor…

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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) 1.63 -0.06 -15.09 1 8 0 94 400.386 6 ↓
Hi High (pH 8-9.5) 1.63 0.5 -48.83 0 8 -1 96 399.378 6 ↓

Analogs

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Popular Name: N-(1-benzyl-1,2,4-triazol-3-yl)-1-ethyl-pyrazole-4-sulfonamide N-(1-benzyl-1,2,4-triazol-3-yl)-…

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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) 0.89 -2.81 -18.18 1 8 0 94 332.389 6 ↓
Hi High (pH 8-9.5) 0.89 -2.24 -52.31 0 8 -1 96 331.381 6 ↓

Analogs

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Popular Name: N-[1-(2,6-dichlorobenzyl)-1,2,4-triazol-3-yl]-1-ethyl-pyrazole-4-sulfonamide N-[1-(2,6-dichlorobenzyl)-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) 2.15 -3.13 -16.13 1 8 0 94 401.279 6 ↓
Hi High (pH 8-9.5) 2.15 -2.57 -50.54 0 8 -1 96 400.271 6 ↓

Analogs

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Popular Name: N-[1-(3,4-dichlorobenzyl)-1,2,4-triazol-3-yl]-1-ethyl-pyrazole-4-sulfonamide N-[1-(3,4-dichlorobenzyl)-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) 2.18 -3.09 -19.63 1 8 0 94 401.279 6 ↓
Hi High (pH 8-9.5) 2.18 -2.52 -50.85 0 8 -1 96 400.271 6 ↓

Analogs

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Popular Name: 1-methyl-N-[1-(2-methylbenzyl)-1,2,4-triazol-3-yl]pyrazole-4-sulfonamide 1-methyl-N-[1-(2-methylbenzyl)-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) 0.92 -2.53 -18.23 1 8 0 94 332.389 5 ↓
Hi High (pH 8-9.5) 0.92 -1.97 -52.34 0 8 -1 96 331.381 5 ↓

Analogs

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Popular Name: 1-ethyl-5-methyl-N-[1-(4-methylbenzyl)-1,2,4-triazol-3-yl]pyrazole-4-sulfonamide 1-ethyl-5-methyl-N-[1-(4-methylb…

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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) 1.56 -2.41 -18.3 1 8 0 94 360.443 6 ↓
Hi High (pH 8-9.5) 1.56 -1.84 -53 0 8 -1 96 359.435 6 ↓

Analogs

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Popular Name: 1-ethyl-N-[1-(4-fluorobenzyl)-1,2,4-triazol-3-yl]pyrazole-4-sulfonamide 1-ethyl-N-[1-(4-fluorobenzyl)-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) 1.06 -2.07 -19.78 1 8 0 94 350.379 6 ↓
Hi High (pH 8-9.5) 1.06 -1.5 -51.93 0 8 -1 96 349.371 6 ↓

Analogs

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Popular Name: N-(1-benzyl-1,2,4-triazol-3-yl)-1-(difluoromethyl)-3,5-dimethyl-pyrazole-4-sulfonamide N-(1-benzyl-1,2,4-triazol-3-yl)-…

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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) 1.52 -0.69 -16.27 1 8 0 94 382.396 6 ↓
Hi High (pH 8-9.5) 1.52 -0.14 -49.77 0 8 -1 96 381.388 6 ↓

Analogs

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Popular Name: N-[1-(2,6-dichlorobenzyl)-1,2,4-triazol-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide N-[1-(2,6-dichlorobenzyl)-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) 2.15 -4.26 -15.05 2 8 0 105 401.279 5 ↓
Hi High (pH 8-9.5) 2.15 -3.7 -48.87 1 8 -1 107 400.271 5 ↓

Analogs

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Popular Name: N-[1-(3,4-dichlorobenzyl)-1,2,4-triazol-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide N-[1-(3,4-dichlorobenzyl)-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) 2.18 -4.21 -18.45 2 8 0 105 401.279 5 ↓
Hi High (pH 8-9.5) 2.18 -3.65 -49.03 1 8 -1 107 400.271 5 ↓

Analogs

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Popular Name: N-[1-(2-chloro-6-fluoro-benzyl)-1,2,4-triazol-3-yl]-1-(difluoromethyl)-3,5-dimethyl-pyrazole-4-sulfo N-[1-(2-chloro-6-fluoro-benzyl)-…

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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 -0.22 -14.82 1 8 0 94 434.831 6 ↓
Hi High (pH 8-9.5) 2.26 0.34 -49.51 0 8 -1 96 433.823 6 ↓

Analogs

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Popular Name: N-(1-benzyl-1,2,4-triazol-3-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide N-(1-benzyl-1,2,4-triazol-3-yl)-…

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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) 0.89 -3.88 -17.33 2 8 0 105 332.389 5 ↓
Hi High (pH 8-9.5) 0.89 -3.32 -50.85 1 8 -1 107 331.381 5 ↓

Analogs

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Popular Name: N-[1-(2,6-dichlorobenzyl)-1,2,4-triazol-3-yl]-1-(difluoromethyl)-3,5-dimethyl-pyrazole-4-sulfonamide N-[1-(2,6-dichlorobenzyl)-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) 2.78 -1.02 -13.97 1 8 0 94 451.286 6 ↓
Hi High (pH 8-9.5) 2.78 -0.46 -47.74 0 8 -1 96 450.278 6 ↓

Analogs

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Popular Name: 1-methyl-N-[1-(3-methylbenzyl)-1,2,4-triazol-3-yl]pyrazole-4-sulfonamide 1-methyl-N-[1-(3-methylbenzyl)-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) 0.94 -2.54 -18.53 1 8 0 94 332.389 5 ↓
Hi High (pH 8-9.5) 0.94 -1.98 -53.03 0 8 -1 96 331.381 5 ↓

Analogs

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Popular Name: N-[1-(4-fluorobenzyl)-1,2,4-triazol-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide N-[1-(4-fluorobenzyl)-1,2,4-tria…

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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) 1.06 -3.14 -19.06 2 8 0 105 350.379 5 ↓
Hi High (pH 8-9.5) 1.06 -2.58 -50.6 1 8 -1 107 349.371 5 ↓

Analogs

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Popular Name: N-[1-(3,4-dichlorobenzyl)-1,2,4-triazol-3-yl]-1-(difluoromethyl)-3,5-dimethyl-pyrazole-4-sulfonamide N-[1-(3,4-dichlorobenzyl)-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) 2.80 -1.03 -17.52 1 8 0 94 451.286 6 ↓
Hi High (pH 8-9.5) 2.80 -0.47 -48 0 8 -1 96 450.278 6 ↓

Analogs

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Popular Name: N-[1-(2,4-dichlorobenzyl)-1,2,4-triazol-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide N-[1-(2,4-dichlorobenzyl)-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) 2.18 -4.21 -18.34 2 8 0 105 401.279 5 ↓
Hi High (pH 8-9.5) 2.18 -3.65 -50.77 1 8 -1 107 400.271 5 ↓

Analogs

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Popular Name: N-[1-(2,4-dichlorobenzyl)-1,2,4-triazol-3-yl]-1-(difluoromethyl)-3,5-dimethyl-pyrazole-4-sulfonamide N-[1-(2,4-dichlorobenzyl)-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) 2.80 -1.02 -17.5 1 8 0 94 451.286 6 ↓
Hi High (pH 8-9.5) 2.80 -0.47 -49.95 0 8 -1 96 450.278 6 ↓

Analogs

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Popular Name: N-[1-(4-chlorobenzyl)-1,2,4-triazol-3-yl]-1-ethyl-pyrazole-4-sulfonamide N-[1-(4-chlorobenzyl)-1,2,4-tria…

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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) 1.57 -2.96 -19.07 1 8 0 94 366.834 6 ↓
Hi High (pH 8-9.5) 1.57 -2.39 -51.49 0 8 -1 96 365.826 6 ↓

Analogs

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Popular Name: 1,3-dimethyl-N-[1-(4-methylbenzyl)-1,2,4-triazol-3-yl]pyrazole-4-sulfonamide 1,3-dimethyl-N-[1-(4-methylbenzy…

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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) 1.19 -2.42 -18.43 1 8 0 94 346.416 5 ↓
Hi High (pH 8-9.5) 1.19 -1.85 -53.33 0 8 -1 96 345.408 5 ↓

Analogs

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Popular Name: 1-ethyl-N-[1-(3-fluorobenzyl)-1,2,4-triazol-3-yl]pyrazole-4-sulfonamide 1-ethyl-N-[1-(3-fluorobenzyl)-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) 1.03 -2.07 -19.12 1 8 0 94 350.379 6 ↓
Hi High (pH 8-9.5) 1.03 -1.5 -51.56 0 8 -1 96 349.371 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[1-(4-chlorobenzyl)-1,2,4-triazol-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide N-[1-(4-chlorobenzyl)-1,2,4-tria…

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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) 1.57 -4.02 -18.26 2 8 0 105 366.834 5 ↓
Hi High (pH 8-9.5) 1.57 -3.47 -50.09 1 8 -1 107 365.826 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-N-[1-(2-fluorobenzyl)-1,2,4-triazol-3-yl]pyrazole-4-sulfonamide 1-ethyl-N-[1-(2-fluorobenzyl)-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) 1.01 -2.12 -17.8 1 8 0 94 350.379 6 ↓
Hi High (pH 8-9.5) 1.01 -1.55 -52.15 0 8 -1 96 349.371 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[1-(4-chlorobenzyl)-1,2,4-triazol-3-yl]-1-(difluoromethyl)-3,5-dimethyl-pyrazole-4-sulfonamide N-[1-(4-chlorobenzyl)-1,2,4-tria…

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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) 2.20 -0.84 -17.34 1 8 0 94 416.841 6 ↓
Hi High (pH 8-9.5) 2.20 -0.28 -49.13 0 8 -1 96 415.833 6 ↓

Analogs

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Popular Name: N-[1-(3-fluorobenzyl)-1,2,4-triazol-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide N-[1-(3-fluorobenzyl)-1,2,4-tria…

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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) 1.03 -3.19 -17.85 2 8 0 105 350.379 5 ↓
Hi High (pH 8-9.5) 1.03 -2.64 -49.75 1 8 -1 107 349.371 5 ↓

Analogs

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Popular Name: 1-ethyl-5-methyl-N-[1-(2-methylbenzyl)-1,2,4-triazol-3-yl]pyrazole-4-sulfonamide 1-ethyl-5-methyl-N-[1-(2-methylb…

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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) 1.52 -2.4 -17.99 1 8 0 94 360.443 6 ↓
Hi High (pH 8-9.5) 1.52 -1.83 -52.34 0 8 -1 96 359.435 6 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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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 = 242994 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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