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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-[(1S)-2-(2-furyl)-1-methyl-ethyl]-1,3,5-trimethyl-pyrazol-4-amine N-[(1S)-2-(2-furyl)-1-methyl-eth…

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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) 2.67 5.51 -7.87 1 4 0 43 233.315 4 ↓
Lo Low (pH 4.5-6) 2.67 5.63 -25.85 2 4 1 44 234.323 4 ↓

Analogs

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Popular Name: N-[(1R)-2-(2-furyl)-1-methyl-ethyl]-1,3,5-trimethyl-pyrazol-4-amine N-[(1R)-2-(2-furyl)-1-methyl-eth…

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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) 2.67 5.26 -8.33 1 4 0 43 233.315 4 ↓
Lo Low (pH 4.5-6) 2.67 5.38 -26.32 2 4 1 44 234.323 4 ↓

Analogs

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Popular Name: N-[(1S)-2-(2-furyl)-1-methyl-ethyl]-1-methyl-pyrazol-4-amine N-[(1S)-2-(2-furyl)-1-methyl-eth…

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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) 2.23 4.6 -7.72 1 4 0 43 205.261 4 ↓
Lo Low (pH 4.5-6) 2.23 4.71 -35.62 2 4 1 48 206.269 4 ↓

Analogs

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Popular Name: N-[(1R)-2-(2-furyl)-1-methyl-ethyl]-1-methyl-pyrazol-4-amine N-[(1R)-2-(2-furyl)-1-methyl-eth…

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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) 2.23 4.63 -7.99 1 4 0 43 205.261 4 ↓
Lo Low (pH 4.5-6) 2.23 4.69 -38.84 2 4 1 48 206.269 4 ↓

Analogs

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Popular Name: N-[(1S)-2-(2-furyl)-1-methyl-ethyl]-1H-pyrazol-4-amine N-[(1S)-2-(2-furyl)-1-methyl-eth…

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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) 2.16 3.29 -6.79 2 4 0 54 191.234 4 ↓
Lo Low (pH 4.5-6) 2.16 3.4 -37.35 3 4 1 58 192.242 4 ↓

Analogs

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Popular Name: N-[(1R)-2-(2-furyl)-1-methyl-ethyl]-1H-pyrazol-4-amine N-[(1R)-2-(2-furyl)-1-methyl-eth…

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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) 2.16 3.31 -7.13 2 4 0 54 191.234 4 ↓
Lo Low (pH 4.5-6) 2.16 3.39 -37.86 3 4 1 58 192.242 4 ↓

Analogs

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Popular Name: 1-ethyl-N-[(1S)-2-(2-furyl)-1-methyl-ethyl]pyrazol-4-amine 1-ethyl-N-[(1S)-2-(2-furyl)-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) 2.61 5.47 -7.45 1 4 0 43 219.288 5 ↓
Lo Low (pH 4.5-6) 2.61 5.58 -35.55 2 4 1 48 220.296 5 ↓

Analogs

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Popular Name: 1-ethyl-N-[(1R)-2-(2-furyl)-1-methyl-ethyl]pyrazol-4-amine 1-ethyl-N-[(1R)-2-(2-furyl)-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) 2.61 5.49 -7.82 1 4 0 43 219.288 5 ↓
Lo Low (pH 4.5-6) 2.61 5.56 -38.85 2 4 1 48 220.296 5 ↓

Analogs

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Popular Name: N-[(1S)-2-(2-furyl)-1-methyl-ethyl]-3,5-dimethyl-1H-pyrazol-4-amine N-[(1S)-2-(2-furyl)-1-methyl-eth…

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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 4.31 -6.78 2 4 0 54 219.288 4 ↓
Lo Low (pH 4.5-6) 2.61 4.29 -28.05 3 4 1 55 220.296 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(2-furyl)-1-methyl-ethyl]-3,5-dimethyl-1H-pyrazol-4-amine N-[(1R)-2-(2-furyl)-1-methyl-eth…

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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 4.18 -7.58 2 4 0 54 219.288 4 ↓
Lo Low (pH 4.5-6) 2.61 4.31 -28.41 3 4 1 55 220.296 4 ↓

Analogs

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Popular Name: 2-[4-[[(1S)-2-(2-furyl)-1-methyl-ethyl]amino]pyrazol-1-yl]acetamide 2-[4-[[(1S)-2-(2-furyl)-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) 0.96 1.7 -16.58 3 6 0 86 248.286 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[[(1R)-2-(2-furyl)-1-methyl-ethyl]amino]pyrazol-1-yl]acetamide 2-[4-[[(1R)-2-(2-furyl)-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) 0.96 1.73 -17.45 3 6 0 86 248.286 6 ↓

Analogs

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Popular Name: N-[(1S)-2-(2-furyl)-1-methyl-ethyl]-1-(2-methoxyethyl)pyrazol-4-amine N-[(1S)-2-(2-furyl)-1-methyl-eth…

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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) 2.21 4.51 -7.31 1 5 0 52 249.314 7 ↓
Lo Low (pH 4.5-6) 2.21 4.62 -37.04 2 5 1 57 250.322 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(2-furyl)-1-methyl-ethyl]-1-(2-methoxyethyl)pyrazol-4-amine N-[(1R)-2-(2-furyl)-1-methyl-eth…

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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) 2.21 4.54 -7.54 1 5 0 52 249.314 7 ↓
Lo Low (pH 4.5-6) 2.21 4.61 -40.16 2 5 1 57 250.322 7 ↓

Analogs

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Popular Name: 1-(2-diethylaminoethyl)-N-[(1S)-2-(2-furyl)-1-methyl-ethyl]pyrazol-4-amine 1-(2-diethylaminoethyl)-N-[(1S)-…

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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) 3.01 8.12 -37.09 2 5 1 47 291.419 9 ↓
Hi High (pH 8-9.5) 3.01 5.99 -6.67 1 5 0 46 290.411 9 ↓

Analogs

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Popular Name: 1-(2-diethylaminoethyl)-N-[(1R)-2-(2-furyl)-1-methyl-ethyl]pyrazol-4-amine 1-(2-diethylaminoethyl)-N-[(1R)-…

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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) 3.01 8.15 -37.36 2 5 1 47 291.419 9 ↓
Hi High (pH 8-9.5) 3.01 6.02 -7 1 5 0 46 290.411 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[[(1S)-2-(2-furyl)-1-methyl-ethyl]amino]pyrazol-1-yl]-N-methyl-acetamide 2-[4-[[(1S)-2-(2-furyl)-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) 1.34 3.19 -16.67 2 6 0 72 262.313 6 ↓

Analogs

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Popular Name: 2-[4-[[(1R)-2-(2-furyl)-1-methyl-ethyl]amino]pyrazol-1-yl]-N-methyl-acetamide 2-[4-[[(1R)-2-(2-furyl)-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) 1.34 3.21 -17.59 2 6 0 72 262.313 6 ↓

Analogs

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Popular Name: N-[(1S)-2-(2-furyl)-1-methyl-ethyl]-1-isopropyl-3,5-dimethyl-pyrazol-4-amine N-[(1S)-2-(2-furyl)-1-methyl-eth…

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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) 3.41 7.07 -7.31 1 4 0 43 261.369 5 ↓
Lo Low (pH 4.5-6) 3.41 7.21 -24.05 2 4 1 44 262.377 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(2-furyl)-1-methyl-ethyl]-1-isopropyl-3,5-dimethyl-pyrazol-4-amine N-[(1R)-2-(2-furyl)-1-methyl-eth…

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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) 3.41 6.82 -7.79 1 4 0 43 261.369 5 ↓
Lo Low (pH 4.5-6) 3.41 6.95 -24.69 2 4 1 44 262.377 5 ↓

Analogs

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Popular Name: N-[(1S)-2-(2-furyl)-1-methyl-ethyl]-1-isopropyl-pyrazol-4-amine N-[(1S)-2-(2-furyl)-1-methyl-eth…

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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) 2.97 5.98 -7.19 1 4 0 43 233.315 5 ↓
Lo Low (pH 4.5-6) 2.97 6.1 -34.71 2 4 1 48 234.323 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(2-furyl)-1-methyl-ethyl]-1-isopropyl-pyrazol-4-amine N-[(1R)-2-(2-furyl)-1-methyl-eth…

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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) 2.97 6.01 -7.48 1 4 0 43 233.315 5 ↓
Lo Low (pH 4.5-6) 2.97 6.08 -37.86 2 4 1 48 234.323 5 ↓

Parameters Provided:

ring.id = 269191
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 = 269191 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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