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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: N-isopropyl-4-[5-(3-methoxyphenyl)-2H-pyrazol-3-yl]benzamide N-isopropyl-4-[5-(3-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) 3.56 7.25 -17.99 2 5 0 67 335.407 5 ↓

Analogs

23336127
23336127

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Popular Name: N-butyl-N-ethyl-4-(5-phenyl-2H-pyrazol-3-yl)benzamide N-butyl-N-ethyl-4-(5-phenyl-2H-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) 4.45 11.32 -13.95 1 4 0 49 347.462 7 ↓

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) 3.10 8.1 -13.43 2 6 0 84 349.39 7 ↓

Analogs

23336127
23336127

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Popular Name: 4-(5-phenyl-2H-pyrazol-3-yl)-N,N-dipropyl-benzamide 4-(5-phenyl-2H-pyrazol-3-yl)-N,N…

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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) 4.39 11.17 -13.24 1 4 0 49 347.462 7 ↓

Analogs

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Popular Name: N-(2-fluoroethyl)-4-[5-(3-methoxyphenyl)-2H-pyrazol-3-yl]benzamide N-(2-fluoroethyl)-4-[5-(3-methox…

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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) 3.19 6.56 -20.36 2 5 0 67 339.37 6 ↓

Analogs

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Popular Name: N-ethyl-N-(2-methoxyethyl)-4-(5-phenyl-2H-pyrazol-3-yl)benzamide N-ethyl-N-(2-methoxyethyl)-4-(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) 2.99 9.44 -16.25 1 5 0 58 349.434 7 ↓

Analogs

23317515
23317515

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Popular Name: N-(2-diethylaminoethyl)-4-(5-phenyl-2H-pyrazol-3-yl)benzamide N-(2-diethylaminoethyl)-4-(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) 3.64 9.66 -51.19 3 5 1 62 363.485 8 ↓
Hi High (pH 8-9.5) 3.64 7.35 -16.16 2 5 0 61 362.477 8 ↓

Analogs

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Popular Name: N-(2-methoxyethyl)-4-[5-(3-methoxyphenyl)-2H-pyrazol-3-yl]benzamide N-(2-methoxyethyl)-4-[5-(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) 2.88 5.48 -17.89 2 6 0 76 351.406 7 ↓

Analogs

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Popular Name: N-(2-cyanoethyl)-4-[5-(3-methoxyphenyl)-2H-pyrazol-3-yl]benzamide N-(2-cyanoethyl)-4-[5-(3-methoxy…

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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 6.92 -26.59 2 6 0 91 346.39 6 ↓

Analogs

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Popular Name: N,N-diethyl-4-[5-(3-methoxyphenyl)-2H-pyrazol-3-yl]benzamide N,N-diethyl-4-[5-(3-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) 3.42 8.99 -16.35 1 5 0 58 349.434 6 ↓

Analogs

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Popular Name: 4-[5-(3-methoxyphenyl)-2H-pyrazol-3-yl]-N-(3-methoxypropyl)benzamide 4-[5-(3-methoxyphenyl)-2H-pyrazo…

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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) 3.15 6.24 -18.21 2 6 0 76 365.433 8 ↓

Analogs

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Popular Name: N-(2-ethoxyethyl)-4-[5-(3-methoxyphenyl)-2H-pyrazol-3-yl]benzamide N-(2-ethoxyethyl)-4-[5-(3-methox…

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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) 3.25 6.46 -17.72 2 6 0 76 365.433 8 ↓

Analogs

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Popular Name: N-ethyl-4-[5-(3-methoxyphenyl)-2H-pyrazol-3-yl]-N-propyl-benzamide N-ethyl-4-[5-(3-methoxyphenyl)-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) 3.92 9.86 -16.52 1 5 0 58 363.461 7 ↓

Analogs

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Popular Name: N-(3-ethoxypropyl)-4-[5-(3-methoxyphenyl)-2H-pyrazol-3-yl]benzamide N-(3-ethoxypropyl)-4-[5-(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) 3.52 7.21 -18.15 2 6 0 76 379.46 9 ↓

Analogs

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Popular Name: N-(2-ethylsulfanylethyl)-4-[5-(3-methoxyphenyl)-2H-pyrazol-3-yl]benzamide N-(2-ethylsulfanylethyl)-4-[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) 3.79 8.51 -19.86 2 5 0 67 381.501 8 ↓

Analogs

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Popular Name: N-[(1R)-4-diethylamino-1-methyl-butyl]-4-(5-phenyl-2H-pyrazol-3-yl)benzamide N-[(1R)-4-diethylamino-1-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) 4.51 12.51 -51.36 3 5 1 62 405.566 10 ↓

Analogs

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Popular Name: N-[(1S)-4-diethylamino-1-methyl-butyl]-4-(5-phenyl-2H-pyrazol-3-yl)benzamide N-[(1S)-4-diethylamino-1-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) 4.51 12.24 -52.76 3 5 1 62 405.566 10 ↓

Analogs

23317515
23317515

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Popular Name: N-(2-diethylaminoethyl)-N-ethyl-4-(5-phenyl-2H-pyrazol-3-yl)benzamide N-(2-diethylaminoethyl)-N-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) 3.79 12.48 -43.88 2 5 1 53 391.539 9 ↓
Hi High (pH 8-9.5) 3.79 10.29 -14.65 1 5 0 52 390.531 9 ↓

Analogs

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Popular Name: N-[(1S)-1-(methoxymethyl)propyl]-4-[5-(3-methoxyphenyl)-2H-pyrazol-3-yl]benzamide N-[(1S)-1-(methoxymethyl)propyl]…

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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) 3.74 7.07 -15.73 2 6 0 76 379.46 8 ↓

Analogs

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Popular Name: N-[(1R)-1-(methoxymethyl)propyl]-4-[5-(3-methoxyphenyl)-2H-pyrazol-3-yl]benzamide N-[(1R)-1-(methoxymethyl)propyl]…

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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) 3.74 7.07 -15.74 2 6 0 76 379.46 8 ↓

Analogs

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Popular Name: 4-[5-(3-methoxyphenyl)-2H-pyrazol-3-yl]-N-(3-propoxypropyl)benzamide 4-[5-(3-methoxyphenyl)-2H-pyrazo…

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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) 4.02 8.01 -18 2 6 0 76 393.487 10 ↓

Analogs

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Popular Name: N-butyl-N-ethyl-4-[5-(3-methoxyphenyl)-2H-pyrazol-3-yl]benzamide N-butyl-N-ethyl-4-[5-(3-methoxyp…

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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 10.63 -16.53 1 5 0 58 377.488 8 ↓

Analogs

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Popular Name: 4-[5-(3-methoxyphenyl)-2H-pyrazol-3-yl]-N,N-dipropyl-benzamide 4-[5-(3-methoxyphenyl)-2H-pyrazo…

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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) 4.42 10.49 -15.81 1 5 0 58 377.488 8 ↓

Analogs

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Popular Name: N-(3-isopropoxypropyl)-4-[5-(3-methoxyphenyl)-2H-pyrazol-3-yl]benzamide N-(3-isopropoxypropyl)-4-[5-(3-m…

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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) 3.89 7.98 -18.02 2 6 0 76 393.487 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) 6.88 14.03 -6.76 0 4 0 44 472.199 7 ↓

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) 5.97 12.6 -9.26 0 4 0 44 478.184 6 ↓

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) 5.50 12.7 -7.73 0 4 0 44 478.184 7 ↓

Analogs

8973069
8973069

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Popular Name: (6E)-6-[5-(3,4-dimethoxyphenyl)-1,2-dihydropyrazol-3-ylidene]-4-fluoro-cyclohexa-2,4-dien-1-one (6E)-6-[5-(3,4-dimethoxyphenyl)-…

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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 4.75 -10.71 2 5 0 67 314.316 4 ↓
Hi High (pH 8-9.5) 3.18 5.44 -40.13 1 5 -1 70 313.308 4 ↓
Mid Mid (pH 6-8) 3.18 4.75 -11.64 2 5 0 67 314.316 4 ↓

Analogs

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Popular Name: (6Z)-4-bromo-6-[5-(2-fluorophenyl)-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,4-dien-1-one (6Z)-4-bromo-6-[5-(2-fluoropheny…

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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) 4.09 7.98 -17.01 2 3 0 49 333.16 1 ↓
Hi High (pH 8-9.5) 4.32 7.42 -57.35 0 3 -1 48 332.152 2 ↓
Hi High (pH 8-9.5) 4.30 6.92 -42.81 1 3 -1 52 332.152 2 ↓

Analogs

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Popular Name: (6E)-4-chloro-6-[5-(2-methoxyphenyl)-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,4-dien-1-one (6E)-4-chloro-6-[5-(2-methoxyphe…

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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) 4.06 5.49 -8.19 2 4 0 58 300.745 3 ↓
Hi High (pH 8-9.5) 4.08 6.73 -56.61 0 4 -1 57 299.737 3 ↓
Hi High (pH 8-9.5) 4.06 6.26 -43.26 1 4 -1 61 299.737 3 ↓

Analogs

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Popular Name: N-isopropyl-3-[5-[4-[(isopropylamino)methyl]phenyl]-1H-pyrazol-3-yl]benzamide N-isopropyl-3-[5-[4-[(isopropyla…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PKD1-1-E Polycystin-1 (cluster #1 Of 1), Eukaryotic Eukaryotes 100 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PKD1_HUMAN P98161 Polycystin-1, Human 100 0.35 Binding ≤ 1μM
PKD1_HUMAN P98161 Polycystin-1, Human 100 0.35 Binding ≤ 10μM

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) 3.74 9.28 -50.41 4 5 1 74 377.512 7 ↓

Analogs

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Popular Name: N-isopropyl-3-[5-[4-[(2,2,2-trifluoroethylamino)methyl]phenyl]-1H-pyrazol-3-yl]benzamide N-isopropyl-3-[5-[4-[(2,2,2-trif…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PKD1-1-E Polycystin-1 (cluster #1 Of 1), Eukaryotic Eukaryotes 6000 0.24 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PKD1_HUMAN P98161 Polycystin-1, Human 6000 0.24 Binding ≤ 10μM

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 7.85 -18.62 3 5 0 70 416.447 8 ↓
Lo Low (pH 4.5-6) 3.99 9.21 -64.81 4 5 1 74 417.455 8 ↓

Analogs

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Popular Name: N-[(1R)-1-cyanoethyl]-3-[5-[4-[(isopropylamino)methyl]phenyl]-1H-pyrazol-3-yl]benzamide N-[(1R)-1-cyanoethyl]-3-[5-[4-[(…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PKD1-1-E Polycystin-1 (cluster #1 Of 1), Eukaryotic Eukaryotes 4 0.41 Binding ≤ 10μM
Q9ERV0-1-E Pkd1 (cluster #1 Of 1), Eukaryotic Eukaryotes 530 0.30 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q9ERV0_RAT Q9ERV0 Pkd1, Rat 530 0.30 Binding ≤ 1μM
PKD1_HUMAN P98161 Polycystin-1, Human 3.7 0.41 Binding ≤ 1μM
Q9ERV0_RAT Q9ERV0 Pkd1, Rat 530 0.30 Binding ≤ 10μM
PKD1_HUMAN P98161 Polycystin-1, Human 3.7 0.41 Binding ≤ 10μM

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 8.95 -50.08 4 6 1 98 388.495 7 ↓

Analogs

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Popular Name: benzenamine, 4-[5-(4-methylphenyl)-1H-pyrazol-3-yl]- benzenamine, 4-[5-(4-methylpheny…

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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) 3.19 6.58 -7.76 3 3 0 55 249.317 2 ↓

Analogs

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Popular Name: benzenamine, 3-[5-[3-(3-methylbutoxy)phenyl]-1H-pyrazol-3-yl]- benzenamine, 3-[5-[3-(3-methylbu…

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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) 4.40 8.24 -8.42 3 4 0 64 321.424 6 ↓

Analogs

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Popular Name: benzenamine, 3-[5-[3-(2-methoxyethoxy)phenyl]-1H-pyrazol-3-yl]- benzenamine, 3-[5-[3-(2-methoxye…

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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) 2.64 5.41 -10.95 3 5 0 73 309.369 6 ↓

Analogs

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Popular Name: benzenamine, 3-[5-[3-(2-ethoxyethoxy)phenyl]-1H-pyrazol-3-yl]- benzenamine, 3-[5-[3-(2-ethoxyet…

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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) 3.02 6.38 -10.9 3 5 0 73 323.396 7 ↓

Analogs

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Popular Name: benzenamine, 3-[5-[2-(hexyloxy)phenyl]-1H-pyrazol-3-yl]- benzenamine, 3-[5-[2-(hexyloxy)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) 5.17 9.49 -8.46 3 4 0 64 335.451 8 ↓

Analogs

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Popular Name: benzenamine, 3-[5-[2-(pentyloxy)phenyl]-1H-pyrazol-3-yl]- benzenamine, 3-[5-[2-(pentyloxy)…

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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 8.71 -8.46 3 4 0 64 321.424 7 ↓

Analogs

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Popular Name: benzenamine, 3-[5-(2-butoxyphenyl)-1H-pyrazol-3-yl]- benzenamine, 3-[5-(2-butoxypheny…

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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) 4.16 7.93 -8.53 3 4 0 64 307.397 6 ↓

Analogs

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Popular Name: benzenamine, 3-[5-(2-propoxyphenyl)-1H-pyrazol-3-yl]- benzenamine, 3-[5-(2-propoxyphen…

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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) 3.60 7.15 -8.56 3 4 0 64 293.37 5 ↓

Analogs

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Popular Name: benzenamine, 3-[5-(2-ethoxyphenyl)-1H-pyrazol-3-yl]- benzenamine, 3-[5-(2-ethoxypheny…

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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) 3.10 6.35 -8.82 3 4 0 64 279.343 4 ↓

Analogs

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Popular Name: benzenamine, 3-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]- benzenamine, 3-[5-(2-methoxyphen…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.73 5.42 -9.04 3 4 0 64 265.316 3 ↓

Analogs

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Popular Name: benzenamine, 3-[5-[2-(1-methylethoxy)phenyl]-1H-pyrazol-3-yl]- benzenamine, 3-[5-[2-(1-methylet…

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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) 3.46 6.97 -8.6 3 4 0 64 293.37 4 ↓

Analogs

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Popular Name: benzenamine, 3-[5-[2-(2-methylpropoxy)phenyl]-1H-pyrazol-3-yl]- benzenamine, 3-[5-[2-(2-methylpr…

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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) 3.85 7.83 -8.39 3 4 0 64 307.397 5 ↓

Analogs

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Popular Name: benzenamine, 3-[5-[2-(3-methylbutoxy)phenyl]-1H-pyrazol-3-yl]- benzenamine, 3-[5-[2-(3-methylbu…

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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) 4.38 8.45 -8.46 3 4 0 64 321.424 6 ↓

Analogs

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Popular Name: benzenamine, 3-[5-[2-(2-methoxyethoxy)phenyl]-1H-pyrazol-3-yl]- benzenamine, 3-[5-[2-(2-methoxye…

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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) 2.62 5.6 -10.41 3 5 0 73 309.369 6 ↓

Analogs

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Popular Name: benzenamine, 3-[5-[2-(2-ethoxyethoxy)phenyl]-1H-pyrazol-3-yl]- benzenamine, 3-[5-[2-(2-ethoxyet…

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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) 2.99 6.57 -10.34 3 5 0 73 323.396 7 ↓

Analogs

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Popular Name: benzenamine, 2-(5-phenyl-1H-pyrazol-3-yl)- benzenamine, 2-(5-phenyl-1H-pyra…

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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) 3.10 6.3 -6.49 3 3 0 55 235.29 2 ↓

Analogs

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Popular Name: benzenamine, 2-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]- benzenamine, 2-[5-(4-methoxyphen…

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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) 3.16 5.59 -7.05 3 4 0 64 265.316 3 ↓
Ref Reference (pH 7) 3.16 5.45 -7.41 3 4 0 64 265.316 3 ↓

Parameters Provided:

ring.id = 96887
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 = 96887 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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