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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: N3-[(1S)-2-cyclopropyl-1-methyl-ethyl]-2,5-dimethyl-pyrazole-3,4-diamine N3-[(1S)-2-cyclopropyl-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) 1.47 4.1 -6.22 3 4 0 56 208.309 4 ↓
Mid Mid (pH 6-8) 1.47 4.22 -24.53 4 4 1 57 209.317 4 ↓

Analogs

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Popular Name: N3-[(1R)-2-cyclopropyl-1-methyl-ethyl]-2,5-dimethyl-pyrazole-3,4-diamine N3-[(1R)-2-cyclopropyl-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) 1.47 4.31 -4.94 3 4 0 56 208.309 4 ↓
Mid Mid (pH 6-8) 1.47 4.43 -24.44 4 4 1 57 209.317 4 ↓

Analogs

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Popular Name: 5-[[(1S)-2-cyclopropyl-1-methyl-ethyl]amino]-1,3-dimethyl-pyrazole-4-carbonitrile 5-[[(1S)-2-cyclopropyl-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) 1.74 6.59 -7.45 1 4 0 54 218.304 4 ↓

Analogs

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Popular Name: 5-[[(1R)-2-cyclopropyl-1-methyl-ethyl]amino]-1,3-dimethyl-pyrazole-4-carbonitrile 5-[[(1R)-2-cyclopropyl-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) 1.74 6.77 -7.54 1 4 0 54 218.304 4 ↓

Analogs

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Popular Name: N3-[(1S)-1-(cyclopropylmethyl)propyl]-2,5-dimethyl-pyrazole-3,4-diamine N3-[(1S)-1-(cyclopropylmethyl)pr…

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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) 2.01 4.8 -4.84 3 4 0 56 222.336 5 ↓
Mid Mid (pH 6-8) 2.01 4.92 -24.43 4 4 1 57 223.344 5 ↓

Analogs

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Popular Name: N3-[(1R)-1-(cyclopropylmethyl)propyl]-2,5-dimethyl-pyrazole-3,4-diamine N3-[(1R)-1-(cyclopropylmethyl)pr…

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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) 2.01 4.37 -4.82 3 4 0 56 222.336 5 ↓
Mid Mid (pH 6-8) 2.01 4.49 -24.46 4 4 1 57 223.344 5 ↓

Analogs

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Popular Name: N-[(1S)-2-cyclopropyl-1-methyl-ethyl]-2,5-dimethyl-4-nitro-pyrazol-3-amine N-[(1S)-2-cyclopropyl-1-methyl-e…

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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) 1.95 6.91 -7.64 1 6 0 76 238.291 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-cyclopropyl-1-methyl-ethyl]-2,5-dimethyl-4-nitro-pyrazol-3-amine N-[(1R)-2-cyclopropyl-1-methyl-e…

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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) 1.95 7.44 -8.02 1 6 0 76 238.291 5 ↓

Analogs

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Popular Name: N-[(1S)-1-(cyclopropylmethyl)propyl]-2,5-dimethyl-4-nitro-pyrazol-3-amine N-[(1S)-1-(cyclopropylmethyl)pro…

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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) 2.48 7.52 -7.88 1 6 0 76 252.318 6 ↓

Analogs

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Popular Name: N-[(1R)-1-(cyclopropylmethyl)propyl]-2,5-dimethyl-4-nitro-pyrazol-3-amine N-[(1R)-1-(cyclopropylmethyl)pro…

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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) 2.48 7.19 -6.4 1 6 0 76 252.318 6 ↓

Analogs

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Popular Name: 5-[[(1S)-1-(cyclopropylmethyl)propyl]amino]-1,3-dimethyl-pyrazole-4-carbonitrile 5-[[(1S)-1-(cyclopropylmethyl)pr…

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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 6.84 -7.79 1 4 0 54 232.331 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(1R)-1-(cyclopropylmethyl)propyl]amino]-1,3-dimethyl-pyrazole-4-carbonitrile 5-[[(1R)-1-(cyclopropylmethyl)pr…

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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 6.87 -7.64 1 4 0 54 232.331 5 ↓

Analogs

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Popular Name: 5-[[(1S)-2-cyclopropyl-1-methyl-ethyl]amino]-1,3-dimethyl-pyrazole-4-carbothioamide 5-[[(1S)-2-cyclopropyl-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) 1.79 5.64 -11.71 3 4 0 56 252.387 5 ↓
Lo Low (pH 4.5-6) 1.79 5.76 -39.15 4 4 1 57 253.395 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(1R)-2-cyclopropyl-1-methyl-ethyl]amino]-1,3-dimethyl-pyrazole-4-carbothioamide 5-[[(1R)-2-cyclopropyl-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) 1.79 5.82 -13.04 3 4 0 56 252.387 5 ↓
Lo Low (pH 4.5-6) 1.79 5.94 -36.26 4 4 1 57 253.395 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(1S)-1-(cyclopropylmethyl)propyl]amino]-1,3-dimethyl-pyrazole-4-carbothioamide 5-[[(1S)-1-(cyclopropylmethyl)pr…

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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 5.77 -13.34 3 4 0 56 266.414 6 ↓
Lo Low (pH 4.5-6) 2.32 5.89 -36.19 4 4 1 57 267.422 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(1R)-1-(cyclopropylmethyl)propyl]amino]-1,3-dimethyl-pyrazole-4-carbothioamide 5-[[(1R)-1-(cyclopropylmethyl)pr…

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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 6.26 -12.27 3 4 0 56 266.414 6 ↓
Lo Low (pH 4.5-6) 2.32 6.39 -35.92 4 4 1 57 267.422 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(1S)-2-cyclopropyl-1-methyl-ethyl]amino]-1,3-dimethyl-pyrazole-4-carboxylic 5-[[(1S)-2-cyclopropyl-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) 1.56 6.82 -52.25 1 5 -1 70 236.295 5 ↓
Mid Mid (pH 6-8) 1.56 6.94 -39.25 2 5 0 71 237.303 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(1R)-2-cyclopropyl-1-methyl-ethyl]amino]-1,3-dimethyl-pyrazole-4-carboxylic 5-[[(1R)-2-cyclopropyl-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) 1.56 7.16 -49.86 1 5 -1 70 236.295 5 ↓
Mid Mid (pH 6-8) 1.56 7.28 -38.38 2 5 0 71 237.303 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(1S)-1-(cyclopropylmethyl)propyl]amino]-1,3-dimethyl-pyrazole-4-carboxylic 5-[[(1S)-1-(cyclopropylmethyl)pr…

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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) 2.10 6.93 -52.54 1 5 -1 70 250.322 6 ↓
Mid Mid (pH 6-8) 2.10 7.05 -40.03 2 5 0 71 251.33 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(1R)-1-(cyclopropylmethyl)propyl]amino]-1,3-dimethyl-pyrazole-4-carboxylic 5-[[(1R)-1-(cyclopropylmethyl)pr…

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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) 2.10 7.23 -50.22 1 5 -1 70 250.322 6 ↓
Mid Mid (pH 6-8) 2.10 7.36 -38.28 2 5 0 71 251.33 6 ↓

Parameters Provided:

ring.id = 384936
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 = 384936 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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