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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-[[1-[(1-isopropylpyrazol-3-yl)methyl]imidazol-2-yl]methyl]-2-methyl-propan-2-amine N-[[1-[(1-isopropylpyrazol-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) 1.87 7.66 -34.28 2 5 1 52 276.408 6 ↓
Hi High (pH 8-9.5) 1.87 6.44 -10.69 1 5 0 48 275.4 6 ↓

Analogs

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Popular Name: N-[[1-[[1-(1-ethylpropyl)pyrazol-3-yl]methyl]imidazol-2-yl]methyl]ethanamine N-[[1-[[1-(1-ethylpropyl)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) 2.06 8.29 -36.92 2 5 1 52 276.408 8 ↓
Hi High (pH 8-9.5) 2.06 6.69 -10.56 1 5 0 48 275.4 8 ↓

Analogs

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Popular Name: N-[[1-[[1-(1-ethylpropyl)pyrazol-3-yl]methyl]imidazol-2-yl]methyl]propan-1-amine N-[[1-[[1-(1-ethylpropyl)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) 2.56 8.81 -37.74 2 5 1 52 290.435 9 ↓
Hi High (pH 8-9.5) 2.56 7.45 -8.91 1 5 0 48 289.427 9 ↓

Analogs

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Popular Name: N-[[1-[[1-[(1S)-1-methylpropyl]pyrazol-3-yl]methyl]imidazol-2-yl]methyl]propan-1-amine N-[[1-[[1-[(1S)-1-methylpropyl]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) 2.06 8.08 -37.88 2 5 1 52 276.408 8 ↓
Hi High (pH 8-9.5) 2.06 6.73 -9.09 1 5 0 48 275.4 8 ↓

Analogs

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Popular Name: N-[[1-[[1-[(1R)-1-methylpropyl]pyrazol-3-yl]methyl]imidazol-2-yl]methyl]propan-1-amine N-[[1-[[1-[(1R)-1-methylpropyl]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) 2.06 8.08 -38.12 2 5 1 52 276.408 8 ↓
Hi High (pH 8-9.5) 2.06 6.73 -9.21 1 5 0 48 275.4 8 ↓

Analogs

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Popular Name: N-[[1-[[1-(1-ethylpropyl)pyrazol-3-yl]methyl]imidazol-2-yl]methyl]propan-2-amine N-[[1-[[1-(1-ethylpropyl)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) 2.36 8.82 -35.56 2 5 1 52 290.435 8 ↓
Hi High (pH 8-9.5) 2.36 7.39 -10.24 1 5 0 48 289.427 8 ↓

Analogs

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Popular Name: N-[[1-[[1-[(1R)-1-methylpropyl]pyrazol-3-yl]methyl]imidazol-2-yl]methyl]propan-2-amine N-[[1-[[1-[(1R)-1-methylpropyl]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) 1.86 7.87 -35.68 2 5 1 52 276.408 7 ↓
Hi High (pH 8-9.5) 1.86 6.65 -10.93 1 5 0 48 275.4 7 ↓

Analogs

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Popular Name: N-[[1-[[1-[(1S)-1-methylpropyl]pyrazol-3-yl]methyl]imidazol-2-yl]methyl]propan-2-amine N-[[1-[[1-[(1S)-1-methylpropyl]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) 1.86 7.85 -35.48 2 5 1 52 276.408 7 ↓
Hi High (pH 8-9.5) 1.86 6.63 -10.74 1 5 0 48 275.4 7 ↓

Analogs

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Popular Name: 2-methyl-N-[[1-[[1-[(1R)-1-methylpropyl]pyrazol-3-yl]methyl]imidazol-2-yl]methyl]propan-2-amine 2-methyl-N-[[1-[[1-[(1R)-1-methy…

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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) 2.37 8.28 -34.14 2 5 1 52 290.435 7 ↓
Hi High (pH 8-9.5) 2.37 7.06 -10.62 1 5 0 48 289.427 7 ↓

Analogs

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Popular Name: 2-methyl-N-[[1-[[1-[(1S)-1-methylpropyl]pyrazol-3-yl]methyl]imidazol-2-yl]methyl]propan-2-amine 2-methyl-N-[[1-[[1-[(1S)-1-methy…

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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) 2.37 8.27 -33.94 2 5 1 52 290.435 7 ↓
Hi High (pH 8-9.5) 2.37 7.04 -10.4 1 5 0 48 289.427 7 ↓

Analogs

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Popular Name: 2-[1-[[1-[(1R)-1-methylpropyl]pyrazol-3-yl]methyl]imidazol-2-yl]ethanamine 2-[1-[[1-[(1R)-1-methylpropyl]py…

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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) 0.61 5.34 -48.51 3 5 1 63 248.354 6 ↓
Hi High (pH 8-9.5) 0.61 4.95 -10.5 2 5 0 62 247.346 6 ↓
Mid Mid (pH 6-8) 0.61 5.73 -105.54 4 5 2 65 249.362 6 ↓

Analogs

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Popular Name: 2-[1-[[1-[(1S)-1-methylpropyl]pyrazol-3-yl]methyl]imidazol-2-yl]ethanamine 2-[1-[[1-[(1S)-1-methylpropyl]py…

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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) 0.61 5.32 -48.16 3 5 1 63 248.354 6 ↓
Hi High (pH 8-9.5) 0.61 4.93 -10.34 2 5 0 62 247.346 6 ↓
Mid Mid (pH 6-8) 0.61 5.71 -105.72 4 5 2 65 249.362 6 ↓

Analogs

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Popular Name: 2-[1-[[1-(1-ethylpropyl)pyrazol-3-yl]methyl]imidazol-2-yl]ethanamine 2-[1-[[1-(1-ethylpropyl)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) 1.11 6.05 -48.11 3 5 1 63 262.381 7 ↓
Hi High (pH 8-9.5) 1.11 5.9 -10.41 2 5 0 62 261.373 7 ↓
Mid Mid (pH 6-8) 1.11 6.45 -105.28 4 5 2 65 263.389 7 ↓

Analogs

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Popular Name: (2R)-1-[1-[[1-(1-ethylpropyl)pyrazol-3-yl]methyl]imidazol-2-yl]propan-2-amine (2R)-1-[1-[[1-(1-ethylpropyl)pyr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.51 6.86 -44.5 3 5 1 63 276.408 7 ↓
Hi High (pH 8-9.5) 1.51 6.85 -9.15 2 5 0 62 275.4 7 ↓
Mid Mid (pH 6-8) 1.51 7.2 -103.95 4 5 2 65 277.416 7 ↓

Analogs

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Popular Name: (2S)-1-[1-[[1-(1-ethylpropyl)pyrazol-3-yl]methyl]imidazol-2-yl]propan-2-amine (2S)-1-[1-[[1-(1-ethylpropyl)pyr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.51 6.73 -37.97 3 5 1 63 276.408 7 ↓
Hi High (pH 8-9.5) 1.51 6.6 -9.79 2 5 0 62 275.4 7 ↓
Mid Mid (pH 6-8) 1.51 7.26 -100.4 4 5 2 65 277.416 7 ↓

Analogs

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Popular Name: (2R)-1-[1-[[1-[(1R)-1-methylpropyl]pyrazol-3-yl]methyl]imidazol-2-yl]butan-2-amine (2R)-1-[1-[[1-[(1R)-1-methylprop…

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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) 1.54 6.96 -44.33 3 5 1 63 276.408 7 ↓
Mid Mid (pH 6-8) 1.54 7.29 -105.18 4 5 2 65 277.416 7 ↓

Analogs

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Popular Name: (2R)-1-[1-[[1-[(1S)-1-methylpropyl]pyrazol-3-yl]methyl]imidazol-2-yl]butan-2-amine (2R)-1-[1-[[1-[(1S)-1-methylprop…

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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) 1.54 6.94 -44.1 3 5 1 63 276.408 7 ↓
Mid Mid (pH 6-8) 1.54 7.27 -105.3 4 5 2 65 277.416 7 ↓

Analogs

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Popular Name: (2S)-1-[1-[[1-[(1R)-1-methylpropyl]pyrazol-3-yl]methyl]imidazol-2-yl]butan-2-amine (2S)-1-[1-[[1-[(1R)-1-methylprop…

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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) 1.54 6.83 -37.72 3 5 1 63 276.408 7 ↓
Mid Mid (pH 6-8) 1.54 7.36 -101.43 4 5 2 65 277.416 7 ↓

Analogs

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Popular Name: (2S)-1-[1-[[1-[(1S)-1-methylpropyl]pyrazol-3-yl]methyl]imidazol-2-yl]butan-2-amine (2S)-1-[1-[[1-[(1S)-1-methylprop…

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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) 1.54 6.81 -37.54 3 5 1 63 276.408 7 ↓
Mid Mid (pH 6-8) 1.54 7.34 -101.43 4 5 2 65 277.416 7 ↓

Analogs

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Popular Name: (2R)-1-[1-[[1-(1-ethylpropyl)pyrazol-3-yl]methyl]imidazol-2-yl]butan-2-amine (2R)-1-[1-[[1-(1-ethylpropyl)pyr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.05 7.68 -43.88 3 5 1 63 290.435 8 ↓
Mid Mid (pH 6-8) 2.05 8.26 -100.54 4 5 2 65 291.443 8 ↓

Analogs

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Popular Name: (2S)-1-[1-[[1-(1-ethylpropyl)pyrazol-3-yl]methyl]imidazol-2-yl]butan-2-amine (2S)-1-[1-[[1-(1-ethylpropyl)pyr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.05 7.54 -37.31 3 5 1 63 290.435 8 ↓
Mid Mid (pH 6-8) 2.05 8.36 -101 4 5 2 65 291.443 8 ↓

Parameters Provided:

ring.id = 513214
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 = 513214 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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