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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: 1-(aminomethyl)-N-[(1-isopropylpyrazol-3-yl)methyl]-N-propyl-cyclopentanamine 1-(aminomethyl)-N-[(1-isopropylp…

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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) 2.32 5.01 -35.23 3 4 1 49 279.452 7 ↓
Mid Mid (pH 6-8) 2.32 6.78 -99.78 4 4 2 50 280.46 7 ↓

Analogs

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Popular Name: 2-[cyclopentyl-[(1-isopropylpyrazol-3-yl)methyl]amino]-N'-hydroxy-acetamidine 2-[cyclopentyl-[(1-isopropylpyra…

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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) 1.58 2.45 -8.7 3 6 0 80 279.388 6 ↓
Mid Mid (pH 6-8) 1.58 5.28 -36.59 4 6 1 81 280.396 6 ↓

Analogs

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Popular Name: N-cyclopentyl-N-[[1-(1-ethylpropyl)pyrazol-3-yl]methyl]propane-1,3-diamine N-cyclopentyl-N-[[1-(1-ethylprop…

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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) 2.65 5.65 -47.04 3 4 1 49 293.479 9 ↓
Mid Mid (pH 6-8) 2.65 7.77 -104.52 4 4 2 50 294.487 9 ↓

Analogs

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Popular Name: N-cyclopentyl-N-[[1-[(1R)-1-methylpropyl]pyrazol-3-yl]methyl]propane-1,3-diamine N-cyclopentyl-N-[[1-[(1R)-1-meth…

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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 4.94 -47.39 3 4 1 49 279.452 8 ↓
Mid Mid (pH 6-8) 2.15 6.77 -104.65 4 4 2 50 280.46 8 ↓

Analogs

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Popular Name: N-cyclopentyl-N-[[1-[(1S)-1-methylpropyl]pyrazol-3-yl]methyl]propane-1,3-diamine N-cyclopentyl-N-[[1-[(1S)-1-meth…

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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 4.92 -47.42 3 4 1 49 279.452 8 ↓
Mid Mid (pH 6-8) 2.15 6.77 -104.67 4 4 2 50 280.46 8 ↓

Analogs

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Popular Name: 1-(aminomethyl)-N-[[1-(1-ethylpropyl)pyrazol-3-yl]methyl]-N-methyl-cyclopentanamine 1-(aminomethyl)-N-[[1-(1-ethylpr…

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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) 2.45 5.8 -45.22 3 4 1 49 279.452 7 ↓
Lo Low (pH 4.5-6) 2.45 7.28 -117.91 4 4 2 50 280.46 7 ↓

Analogs

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Popular Name: 1-(aminomethyl)-N-ethyl-N-[[1-(1-ethylpropyl)pyrazol-3-yl]methyl]cyclopentanamine 1-(aminomethyl)-N-ethyl-N-[[1-(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) 2.82 6.01 -46.38 3 4 1 49 293.479 8 ↓
Mid Mid (pH 6-8) 2.82 8.06 -116.84 4 4 2 50 294.487 8 ↓

Analogs

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Popular Name: 1-(aminomethyl)-N-ethyl-N-[[1-[(1R)-1-methylpropyl]pyrazol-3-yl]methyl]cyclopentanamine 1-(aminomethyl)-N-ethyl-N-[[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) 2.32 5.38 -47.78 3 4 1 49 279.452 7 ↓
Mid Mid (pH 6-8) 2.32 6.69 -111.47 4 4 2 50 280.46 7 ↓

Analogs

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Popular Name: 1-(aminomethyl)-N-ethyl-N-[[1-[(1S)-1-methylpropyl]pyrazol-3-yl]methyl]cyclopentanamine 1-(aminomethyl)-N-ethyl-N-[[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) 2.32 5.28 -46.74 3 4 1 49 279.452 7 ↓
Mid Mid (pH 6-8) 2.32 7.03 -117.33 4 4 2 50 280.46 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(aminomethyl)-N-[[1-[(1S)-1-methylpropyl]pyrazol-3-yl]methyl]-N-propyl-cyclopentanamine 1-(aminomethyl)-N-[[1-[(1S)-1-me…

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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 5.64 -35.54 3 4 1 49 293.479 8 ↓
Mid Mid (pH 6-8) 2.82 7.65 -119.02 4 4 2 50 294.487 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(aminomethyl)-N-[[1-[(1R)-1-methylpropyl]pyrazol-3-yl]methyl]-N-propyl-cyclopentanamine 1-(aminomethyl)-N-[[1-[(1R)-1-me…

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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 5.64 -35.35 3 4 1 49 293.479 8 ↓
Mid Mid (pH 6-8) 2.82 7.65 -119 4 4 2 50 294.487 8 ↓

Analogs

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Popular Name: N-cyclopentyl-N-[[1-(1-ethylpropyl)pyrazol-3-yl]methyl]ethane-1,2-diamine N-cyclopentyl-N-[[1-(1-ethylprop…

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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) 2.38 5.28 -44.68 3 4 1 49 279.452 8 ↓
Mid Mid (pH 6-8) 2.38 7.37 -109.2 4 4 2 50 280.46 8 ↓

Analogs

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Popular Name: 2-[cyclopentyl-[[1-(1-ethylpropyl)pyrazol-3-yl]methyl]amino]acetonitrile 2-[cyclopentyl-[[1-(1-ethylpropy…

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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) 3.36 7.71 -9.28 0 4 0 45 274.412 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[cyclopentyl-[[1-(1-ethylpropyl)pyrazol-3-yl]methyl]amino]thioacetamide 2-[cyclopentyl-[[1-(1-ethylpropy…

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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) 2.49 5.51 -9.87 2 4 0 47 308.495 8 ↓
Mid Mid (pH 6-8) 2.49 8.1 -30.51 3 4 1 48 309.503 8 ↓

Analogs

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Popular Name: 2-[cyclopentyl-[[1-[(1R)-1-methylpropyl]pyrazol-3-yl]methyl]amino]thioacetamide 2-[cyclopentyl-[[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) 1.99 4.78 -10.08 2 4 0 47 294.468 7 ↓
Mid Mid (pH 6-8) 1.99 7.38 -30.55 3 4 1 48 295.476 7 ↓

Analogs

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Popular Name: 2-[cyclopentyl-[[1-[(1S)-1-methylpropyl]pyrazol-3-yl]methyl]amino]thioacetamide 2-[cyclopentyl-[[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) 1.99 4.77 -10.2 2 4 0 47 294.468 7 ↓
Mid Mid (pH 6-8) 1.99 7.36 -30.79 3 4 1 48 295.476 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[cyclopentyl-[[1-[(1R)-1-methylpropyl]pyrazol-3-yl]methyl]amino]-N'-hydroxy-acetamidine 2-[cyclopentyl-[[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) 2.09 3.08 -8.54 3 6 0 80 293.415 7 ↓
Mid Mid (pH 6-8) 2.09 5.91 -36.47 4 6 1 81 294.423 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[cyclopentyl-[[1-[(1S)-1-methylpropyl]pyrazol-3-yl]methyl]amino]-N'-hydroxy-acetamidine 2-[cyclopentyl-[[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) 2.09 3.06 -8.48 3 6 0 80 293.415 7 ↓
Mid Mid (pH 6-8) 2.09 5.89 -36.55 4 6 1 81 294.423 7 ↓

Analogs

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Popular Name: 2-[cyclopentyl-[[1-[(1R)-1-methylpropyl]pyrazol-3-yl]methyl]amino]acetic 2-[cyclopentyl-[[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) 1.40 8.97 -25.22 1 5 0 62 279.384 7 ↓
Hi High (pH 8-9.5) 1.40 6.8 -49.18 0 5 -1 61 278.376 7 ↓

Analogs

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Popular Name: 2-[cyclopentyl-[[1-[(1S)-1-methylpropyl]pyrazol-3-yl]methyl]amino]acetic 2-[cyclopentyl-[[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) 1.40 8.95 -25.37 1 5 0 62 279.384 7 ↓
Hi High (pH 8-9.5) 1.40 6.78 -49.02 0 5 -1 61 278.376 7 ↓

Analogs

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Popular Name: 2-[cyclopentyl-[[1-(1-ethylpropyl)pyrazol-3-yl]methyl]amino]acetic 2-[cyclopentyl-[[1-(1-ethylpropy…

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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) 1.91 9.96 -25.2 1 5 0 62 293.411 8 ↓
Hi High (pH 8-9.5) 1.91 7.79 -49.6 0 5 -1 61 292.403 8 ↓

Analogs

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Popular Name: 2-[cyclopentyl-[[1-(1-ethylpropyl)pyrazol-3-yl]methyl]amino]ethanol 2-[cyclopentyl-[[1-(1-ethylpropy…

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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) 2.94 6.8 -27.39 2 4 1 42 280.436 8 ↓
Hi High (pH 8-9.5) 2.94 5.04 -6.59 1 4 0 41 279.428 8 ↓

Analogs

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Popular Name: N-(2-chloroethyl)-N-[[1-(1-ethylpropyl)pyrazol-3-yl]methyl]cyclopentanamine N-(2-chloroethyl)-N-[[1-(1-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) 4.18 10.54 -33.24 1 3 1 22 298.882 8 ↓
Mid Mid (pH 6-8) 4.18 8.73 -4.34 0 3 0 21 297.874 8 ↓

Parameters Provided:

ring.id = 302035
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 = 302035 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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