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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: 4-bromo-N-(2,3-dichlorophenyl)-2,5-dimethyl-pyrazol-3-amine 4-bromo-N-(2,3-dichlorophenyl)-2…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.72 -0.11 -4.56 1 3 0 29 335.032 2 ↓

Analogs

36749115
36749115

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Popular Name: 4-chloro-N-(2,3-dichlorophenyl)-2,5-dimethyl-pyrazol-3-amine 4-chloro-N-(2,3-dichlorophenyl)-…

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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) 4.59 0.43 -4.55 1 3 0 29 290.581 2 ↓

Analogs

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Popular Name: N3-ethyl-2,5-dimethyl-N3-(m-tolyl)pyrazole-3,4-diamine N3-ethyl-2,5-dimethyl-N3-(m-toly…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.74 6.7 -26.1 3 4 1 48 245.35 3 ↓
Hi High (pH 8-9.5) 2.74 6.58 -5.76 2 4 0 47 244.342 3 ↓

Analogs

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Popular Name: 5-(N-ethyl-3-methyl-anilino)-1,3-dimethyl-pyrazole-4-carbaldehyde 5-(N-ethyl-3-methyl-anilino)-1,3…

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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) 3.05 8.45 -7.9 0 4 0 38 257.337 4 ↓
Lo Low (pH 4.5-6) 3.05 8.57 -30.1 1 4 1 39 258.345 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(N-ethyl-3-methyl-anilino)-1,3-dimethyl-pyrazole-4-carboxylic 5-(N-ethyl-3-methyl-anilino)-1,3…

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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) 2.83 9.53 -39.31 1 5 0 62 273.336 4 ↓
Hi High (pH 8-9.5) 2.83 9.41 -52.66 0 5 -1 61 272.328 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-(N-ethyl-3-methyl-anilino)-1,3-dimethyl-pyrazol-4-yl]methanol [5-(N-ethyl-3-methyl-anilino)-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) 2.60 5.94 -26.81 2 4 1 43 260.361 4 ↓
Hi High (pH 8-9.5) 2.60 5.8 -7.49 1 4 0 41 259.353 4 ↓

Analogs

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Popular Name: 4-(chloromethyl)-N-ethyl-2,5-dimethyl-N-(m-tolyl)pyrazol-3-amine 4-(chloromethyl)-N-ethyl-2,5-dim…

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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) 3.84 9.92 -27.42 1 3 1 22 278.807 4 ↓
Hi High (pH 8-9.5) 3.84 9.78 -5.19 0 3 0 21 277.799 4 ↓

Analogs

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Popular Name: N-ethyl-2,5-dimethyl-4-(methylaminomethyl)-N-(m-tolyl)pyrazol-3-amine N-ethyl-2,5-dimethyl-4-(methylam…

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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 8.43 -40.73 2 4 1 38 273.404 5 ↓
Hi High (pH 8-9.5) 2.82 7.09 -25.55 2 4 1 34 273.404 5 ↓
Mid Mid (pH 6-8) 2.82 8.56 -96.45 3 4 2 39 274.412 5 ↓

Analogs

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Popular Name: N-ethyl-4-(ethylaminomethyl)-2,5-dimethyl-N-(m-tolyl)pyrazol-3-amine N-ethyl-4-(ethylaminomethyl)-2,5…

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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) 3.20 9.25 -35.61 2 4 1 38 287.431 6 ↓
Hi High (pH 8-9.5) 3.20 8 -26.83 2 4 1 34 287.431 6 ↓
Mid Mid (pH 6-8) 3.20 9.39 -92.72 3 4 2 39 288.439 6 ↓

Analogs

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Popular Name: 4-(aminomethyl)-N-ethyl-2,5-dimethyl-N-(m-tolyl)pyrazol-3-amine 4-(aminomethyl)-N-ethyl-2,5-dime…

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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) 2.44 6.56 -46.21 3 4 1 49 259.377 4 ↓
Hi High (pH 8-9.5) 2.44 6.25 -26.06 3 4 1 48 259.377 4 ↓
Hi High (pH 8-9.5) 2.44 6.12 -5.5 2 4 0 47 258.369 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-[(2-isopropylpyrazol-3-yl)amino]benzenecarbothioamide 5-chloro-2-[(2-isopropylpyrazol-…

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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) 3.65 7.18 -11.2 3 4 0 56 294.811 4 ↓
Lo Low (pH 4.5-6) 3.65 7.35 -31.28 4 4 1 57 295.819 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-[(2,5-dimethylpyrazol-3-yl)amino]benzenecarbothioamide 5-chloro-2-[(2,5-dimethylpyrazol…

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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 6.23 -12.41 3 4 0 56 280.784 3 ↓
Mid Mid (pH 6-8) 3.13 6.36 -28.94 4 4 1 57 281.792 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-[(2-methylpyrazol-3-yl)amino]benzenecarbothioamide 5-chloro-2-[(2-methylpyrazol-3-y…

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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) 2.91 5.54 -11.78 3 4 0 56 266.757 3 ↓
Lo Low (pH 4.5-6) 2.91 5.71 -32.55 4 4 1 57 267.765 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-6-[(2-isopropylpyrazol-3-yl)amino]benzenecarbothioamide 2-chloro-6-[(2-isopropylpyrazol-…

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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) 3.62 6.73 -14.12 3 4 0 56 294.811 4 ↓
Lo Low (pH 4.5-6) 3.62 6.89 -40 4 4 1 57 295.819 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-6-[(2,5-dimethylpyrazol-3-yl)amino]benzenecarbothioamide 2-chloro-6-[(2,5-dimethylpyrazol…

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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 5.7 -15.15 3 4 0 56 280.784 3 ↓
Mid Mid (pH 6-8) 3.10 5.84 -37.84 4 4 1 57 281.792 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-6-[(2-methylpyrazol-3-yl)amino]benzenecarbothioamide 2-chloro-6-[(2-methylpyrazol-3-y…

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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 5.12 -14.62 3 4 0 56 266.757 3 ↓
Lo Low (pH 4.5-6) 2.88 5.28 -41.46 4 4 1 57 267.765 3 ↓

Analogs

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Popular Name: 2-[(4-amino-2,5-dimethyl-pyrazol-3-yl)amino]-6-fluoro-benzonitrile 2-[(4-amino-2,5-dimethyl-pyrazol…

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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) 1.96 4.24 -8.36 3 5 0 80 245.261 2 ↓
Mid Mid (pH 6-8) 1.96 4.36 -34.64 4 5 1 81 246.269 2 ↓

Analogs

34628094
34628094
39327528
39327528

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Popular Name: 5-amino-3-(4-fluoro-3-methylanilino)-1H-pyrazole-4-carbonitrile 5-amino-3-(4-fluoro-3-methylanil…

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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 4.71 -9.17 4 5 0 91 231.234 2 ↓

Analogs

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Popular Name: N3-[2-fluoro-5-(trifluoromethyl)phenyl]-2,5-dimethyl-pyrazole-3,4-diamine N3-[2-fluoro-5-(trifluoromethyl)…

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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) 3.12 4.89 -5.88 3 4 0 56 288.248 3 ↓
Mid Mid (pH 6-8) 3.12 5.01 -28.28 4 4 1 57 289.256 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-[(2-isopropylpyrazol-3-yl)amino]benzenecarbothioamide 4-chloro-2-[(2-isopropylpyrazol-…

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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) 3.65 7.25 -13.1 3 4 0 56 294.811 4 ↓
Lo Low (pH 4.5-6) 3.65 7.42 -30.37 4 4 1 57 295.819 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-[(2,5-dimethylpyrazol-3-yl)amino]benzenecarbothioamide 4-chloro-2-[(2,5-dimethylpyrazol…

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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 6.22 -14.37 3 4 0 56 280.784 3 ↓
Mid Mid (pH 6-8) 3.13 6.35 -28.52 4 4 1 57 281.792 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-[(2-methylpyrazol-3-yl)amino]benzenecarbothioamide 4-chloro-2-[(2-methylpyrazol-3-y…

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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) 2.91 5.53 -13.62 3 4 0 56 266.757 3 ↓
Lo Low (pH 4.5-6) 2.91 5.7 -31.81 4 4 1 57 267.765 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-4-[(2-isopropylpyrazol-3-yl)amino]benzenecarbothioamide 3-chloro-4-[(2-isopropylpyrazol-…

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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) 3.65 6.83 -13.09 3 4 0 56 294.811 4 ↓
Lo Low (pH 4.5-6) 3.65 6.99 -39.51 4 4 1 57 295.819 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-4-[(2,5-dimethylpyrazol-3-yl)amino]benzenecarbothioamide 3-chloro-4-[(2,5-dimethylpyrazol…

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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 5.81 -13.92 3 4 0 56 280.784 3 ↓
Mid Mid (pH 6-8) 3.13 5.94 -37.47 4 4 1 57 281.792 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-4-[(2-methylpyrazol-3-yl)amino]benzenecarbothioamide 3-chloro-4-[(2-methylpyrazol-3-y…

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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) 2.91 5.22 -13.62 3 4 0 56 266.757 3 ↓
Lo Low (pH 4.5-6) 2.91 5.38 -41.15 4 4 1 57 267.765 3 ↓

Analogs

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Popular Name: N-[3-(2-aminoethoxy)phenyl]-2,5-dimethyl-4-nitro-pyrazol-3-amine N-[3-(2-aminoethoxy)phenyl]-2,5-…

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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) 1.45 4.42 -48.91 4 8 1 113 292.319 6 ↓
Hi High (pH 8-9.5) 1.45 3.98 -8.94 3 8 0 111 291.311 6 ↓

Analogs

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Popular Name: N3-[4-(diethylamino)phenyl]-2,5-dimethyl-pyrazole-3,4-diamine N3-[4-(diethylamino)phenyl]-2,5-…

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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 6.14 -16.88 4 5 0 60 274.392 5 ↓
Mid Mid (pH 6-8) 2.99 6.27 -40.5 5 5 0 62 275.4 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2,5-dimethyl-4-nitro-pyrazol-3-yl)amino]-3-fluoro-benzoic 4-[(2,5-dimethyl-4-nitro-pyrazol…

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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 7.33 -45.36 1 8 -1 116 293.234 4 ↓

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) 3.23 6.82 -7.92 2 6 0 76 289.335 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2,5-dimethylpyrazol-3-yl)amino]-5-(trifluoromethyl)benzenecarbothioamide 2-[(2,5-dimethylpyrazol-3-yl)ami…

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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) 3.35 6.71 -12.6 3 4 0 56 314.336 4 ↓
Mid Mid (pH 6-8) 3.35 6.84 -30.55 4 4 1 57 315.344 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N3-(4-methoxy-3-methyl-phenyl)-2,5-dimethyl-pyrazole-3,4-diamine N3-(4-methoxy-3-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) 2.57 3.77 -6.77 3 5 0 65 246.314 3 ↓
Mid Mid (pH 6-8) 2.57 3.89 -29 4 5 1 66 247.322 3 ↓

Analogs

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Popular Name: 2,5-dimethyl-N3-(2-propylphenyl)pyrazole-3,4-diamine 2,5-dimethyl-N3-(2-propylphenyl)…

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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) 3.39 6.11 -5.29 3 4 0 56 244.342 4 ↓
Mid Mid (pH 6-8) 3.39 6.23 -26.81 4 4 1 57 245.35 4 ↓

Analogs

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Popular Name: N3-(3-ethoxyphenyl)-2,5-dimethyl-pyrazole-3,4-diamine N3-(3-ethoxyphenyl)-2,5-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) 2.54 3.96 -6.24 3 5 0 65 246.314 4 ↓
Mid Mid (pH 6-8) 2.54 4.08 -28.29 4 5 1 66 247.322 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N3-(5-bromo-2-methoxy-phenyl)-2,5-dimethyl-pyrazole-3,4-diamine N3-(5-bromo-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) 2.93 3.83 -6.31 3 5 0 65 311.183 3 ↓
Mid Mid (pH 6-8) 2.93 3.96 -26.75 4 5 1 66 312.191 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N3-(4-fluoro-2-methoxy-phenyl)-2,5-dimethyl-pyrazole-3,4-diamine N3-(4-fluoro-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) 2.28 3.28 -5.93 3 5 0 65 250.277 3 ↓
Mid Mid (pH 6-8) 2.28 3.4 -28.72 4 5 1 66 251.285 3 ↓

Parameters Provided:

ring.id = 6251
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 = 6251 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=6251&filter.purchasability=annotated

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