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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: 1,3-dimethyl-5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrazole-4-carboxylic 1,3-dimethyl-5-[methyl-[(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) 0.11 7.02 -38.82 1 7 0 80 263.301 4 ↓
Hi High (pH 8-9.5) 0.11 6.91 -53.22 0 7 -1 79 262.293 4 ↓

Analogs

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Popular Name: N,2,5-trimethyl-4-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-3-amine N,2,5-trimethyl-4-(methylaminome…

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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) 0.10 5.88 -45.36 2 6 1 55 263.369 5 ↓
Hi High (pH 8-9.5) 0.10 4.4 -9.01 1 6 0 51 262.361 5 ↓
Lo Low (pH 4.5-6) 0.10 6.01 -97.69 3 6 2 57 264.377 5 ↓

Analogs

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Popular Name: 4-(ethylaminomethyl)-N,2,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-3-amine 4-(ethylaminomethyl)-N,2,5-trime…

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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) 0.47 6.5 -44.4 2 6 1 55 277.396 6 ↓
Hi High (pH 8-9.5) 0.47 5.12 -8.73 1 6 0 51 276.388 6 ↓
Lo Low (pH 4.5-6) 0.47 6.63 -96.51 3 6 2 57 278.404 6 ↓

Analogs

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Popular Name: N,2,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(propylaminomethyl)pyrazol-3-amine N,2,5-trimethyl-N-[(1-methylpyra…

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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) 0.98 7.24 -45.07 2 6 1 55 291.423 7 ↓
Hi High (pH 8-9.5) 0.98 5.87 -8.61 1 6 0 51 290.415 7 ↓
Lo Low (pH 4.5-6) 0.98 7.39 -98.34 3 6 2 57 292.431 7 ↓

Analogs

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Popular Name: 4-[(isopropylamino)methyl]-N,2,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-3-amine 4-[(isopropylamino)methyl]-N,2,5…

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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) 0.77 7.26 -42.67 2 6 1 55 291.423 6 ↓
Hi High (pH 8-9.5) 0.77 6.03 -8.57 1 6 0 51 290.415 6 ↓
Lo Low (pH 4.5-6) 0.77 7.4 -96.68 3 6 2 57 292.431 6 ↓

Analogs

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Popular Name: (E)-3-[1,3-dimethyl-5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrazol-4-yl]prop-2-enoic (E)-3-[1,3-dimethyl-5-[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) 0.33 6.41 -58.15 1 7 0 80 289.339 5 ↓
Hi High (pH 8-9.5) 0.33 6.29 -56.42 0 7 -1 79 288.331 5 ↓

Parameters Provided:

ring.id = 543362
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 = 543362 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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