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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: [5-[(1R,3S)-3-methoxycyclohexoxy]-1,3-dimethyl-pyrazol-4-yl]methanamine [5-[(1R,3S)-3-methoxycyclohexoxy…

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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) 1.04 2.04 -45.13 3 5 1 64 254.354 4 ↓
Hi High (pH 8-9.5) 1.04 1.64 -6.1 2 5 0 62 253.346 4 ↓

Analogs

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Popular Name: [5-[(1S,3S)-3-methoxycyclohexoxy]-1,3-dimethyl-pyrazol-4-yl]methanamine [5-[(1S,3S)-3-methoxycyclohexoxy…

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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) 1.04 2.3 -43.13 3 5 1 64 254.354 4 ↓
Hi High (pH 8-9.5) 1.04 1.9 -6.21 2 5 0 62 253.346 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-[(1R,3R)-3-methoxycyclohexoxy]-1,3-dimethyl-pyrazol-4-yl]methanamine [5-[(1R,3R)-3-methoxycyclohexoxy…

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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) 1.04 2.16 -45.26 3 5 1 64 254.354 4 ↓
Hi High (pH 8-9.5) 1.04 1.76 -5.78 2 5 0 62 253.346 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-[(1S,3R)-3-methoxycyclohexoxy]-1,3-dimethyl-pyrazol-4-yl]methanamine [5-[(1S,3R)-3-methoxycyclohexoxy…

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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) 1.04 2.15 -48.51 3 5 1 64 254.354 4 ↓
Hi High (pH 8-9.5) 1.04 1.75 -6.17 2 5 0 62 253.346 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1R,3S)-3-methoxycyclohexoxy]-1,3-dimethyl-pyrazol-4-amine 5-[(1R,3S)-3-methoxycyclohexoxy]…

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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 2.17 -6.42 2 5 0 62 239.319 3 ↓
Lo Low (pH 4.5-6) 1.34 2.2 -106.42 4 5 2 65 241.335 3 ↓
Lo Low (pH 4.5-6) 1.34 2.3 -28.23 3 5 1 64 240.327 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1S,3S)-3-methoxycyclohexoxy]-1,3-dimethyl-pyrazol-4-amine 5-[(1S,3S)-3-methoxycyclohexoxy]…

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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 2.34 -6.8 2 5 0 62 239.319 3 ↓
Lo Low (pH 4.5-6) 1.34 2.2 -100.7 4 5 2 65 241.335 3 ↓
Lo Low (pH 4.5-6) 1.34 2.51 -25.65 3 5 1 64 240.327 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1R,3R)-3-methoxycyclohexoxy]-1,3-dimethyl-pyrazol-4-amine 5-[(1R,3R)-3-methoxycyclohexoxy]…

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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 2.31 -6.02 2 5 0 62 239.319 3 ↓
Lo Low (pH 4.5-6) 1.34 2.32 -107.51 4 5 2 65 241.335 3 ↓
Lo Low (pH 4.5-6) 1.34 2.43 -28.16 3 5 1 64 240.327 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1S,3R)-3-methoxycyclohexoxy]-1,3-dimethyl-pyrazol-4-amine 5-[(1S,3R)-3-methoxycyclohexoxy]…

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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 2.18 -6.43 2 5 0 62 239.319 3 ↓
Lo Low (pH 4.5-6) 1.34 2.36 -28.3 3 5 1 64 240.327 3 ↓
Lo Low (pH 4.5-6) 1.34 2.05 -107.06 4 5 2 65 241.335 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1R,3S)-3-methoxycyclohexoxy]-1,3-dimethyl-pyrazole-4-carbonitrile 5-[(1R,3S)-3-methoxycyclohexoxy]…

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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) 1.61 4.64 -7.71 0 5 0 60 249.314 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1S,3S)-3-methoxycyclohexoxy]-1,3-dimethyl-pyrazole-4-carbonitrile 5-[(1S,3S)-3-methoxycyclohexoxy]…

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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) 1.61 4.68 -7.06 0 5 0 60 249.314 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1R,3R)-3-methoxycyclohexoxy]-1,3-dimethyl-pyrazole-4-carbonitrile 5-[(1R,3R)-3-methoxycyclohexoxy]…

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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) 1.61 4.74 -7.24 0 5 0 60 249.314 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1S,3R)-3-methoxycyclohexoxy]-1,3-dimethyl-pyrazole-4-carbonitrile 5-[(1S,3R)-3-methoxycyclohexoxy]…

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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) 1.61 4.53 -7.53 0 5 0 60 249.314 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1R,3S)-3-methoxycyclohexoxy]-1,3-dimethyl-pyrazole-4-carbothioamide 5-[(1R,3S)-3-methoxycyclohexoxy]…

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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) 1.65 3.44 -10.34 2 5 0 62 283.397 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1S,3S)-3-methoxycyclohexoxy]-1,3-dimethyl-pyrazole-4-carbothioamide 5-[(1S,3S)-3-methoxycyclohexoxy]…

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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) 1.65 3.61 -11.28 2 5 0 62 283.397 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1R,3R)-3-methoxycyclohexoxy]-1,3-dimethyl-pyrazole-4-carbothioamide 5-[(1R,3R)-3-methoxycyclohexoxy]…

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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) 1.65 3.51 -10.54 2 5 0 62 283.397 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1S,3R)-3-methoxycyclohexoxy]-1,3-dimethyl-pyrazole-4-carbothioamide 5-[(1S,3R)-3-methoxycyclohexoxy]…

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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) 1.65 3.47 -10.36 2 5 0 62 283.397 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-hydroxy-5-[(1R,3S)-3-methoxycyclohexoxy]-1,3-dimethyl-pyrazole-4-carboxamidine N'-hydroxy-5-[(1R,3S)-3-methoxyc…

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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) 0.17 1.05 -7.64 3 7 0 95 282.344 4 ↓
Lo Low (pH 4.5-6) 0.17 0.69 -31.25 4 7 1 97 283.352 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-hydroxy-5-[(1S,3S)-3-methoxycyclohexoxy]-1,3-dimethyl-pyrazole-4-carboxamidine N'-hydroxy-5-[(1S,3S)-3-methoxyc…

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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) 0.17 0.98 -9 3 7 0 95 282.344 4 ↓
Lo Low (pH 4.5-6) 0.17 0.86 -29.21 4 7 1 97 283.352 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-hydroxy-5-[(1R,3R)-3-methoxycyclohexoxy]-1,3-dimethyl-pyrazole-4-carboxamidine N'-hydroxy-5-[(1R,3R)-3-methoxyc…

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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) 0.17 1.14 -7.07 3 7 0 95 282.344 4 ↓
Lo Low (pH 4.5-6) 0.17 0.8 -31.09 4 7 1 97 283.352 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-hydroxy-5-[(1S,3R)-3-methoxycyclohexoxy]-1,3-dimethyl-pyrazole-4-carboxamidine N'-hydroxy-5-[(1S,3R)-3-methoxyc…

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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) 0.17 0.83 -8.39 3 7 0 95 282.344 4 ↓
Lo Low (pH 4.5-6) 0.17 0.71 -31.28 4 7 1 97 283.352 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1R,3S)-3-methoxycyclohexoxy]-1,3-dimethyl-pyrazole-4-carboxamidine 5-[(1R,3S)-3-methoxycyclohexoxy]…

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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) 0.24 1.71 -32.78 4 6 1 88 267.353 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1S,3S)-3-methoxycyclohexoxy]-1,3-dimethyl-pyrazole-4-carboxamidine 5-[(1S,3S)-3-methoxycyclohexoxy]…

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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) 0.24 1.9 -31.33 4 6 1 88 267.353 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1R,3S)-3-methoxycyclohexoxy]-1,3-dimethyl-pyrazole-4-carboxylic 5-[(1R,3S)-3-methoxycyclohexoxy]…

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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) 1.43 5 -52.23 0 6 -1 76 267.305 4 ↓
Mid Mid (pH 6-8) 1.43 5.12 -42.99 1 6 0 78 268.313 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1S,3S)-3-methoxycyclohexoxy]-1,3-dimethyl-pyrazole-4-carboxylic 5-[(1S,3S)-3-methoxycyclohexoxy]…

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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) 1.43 5.14 -56.52 0 6 -1 76 267.305 4 ↓
Mid Mid (pH 6-8) 1.43 5.16 -39.64 1 6 0 78 268.313 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1R,3R)-3-methoxycyclohexoxy]-1,3-dimethyl-pyrazole-4-carboxylic 5-[(1R,3R)-3-methoxycyclohexoxy]…

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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) 1.43 4.94 -53.06 0 6 -1 76 267.305 4 ↓
Mid Mid (pH 6-8) 1.43 5.06 -43.18 1 6 0 78 268.313 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1S,3R)-3-methoxycyclohexoxy]-1,3-dimethyl-pyrazole-4-carboxylic 5-[(1S,3R)-3-methoxycyclohexoxy]…

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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) 1.43 4.99 -54.13 0 6 -1 76 267.305 4 ↓
Mid Mid (pH 6-8) 1.43 5.01 -41.44 1 6 0 78 268.313 4 ↓

Parameters Provided:

ring.id = 536465
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 536465 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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