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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2,4-dimethyl-5-(5-quinolyl)pyrazol-3-amine 2,4-dimethyl-5-(5-quinolyl)pyraz…

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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) 2.30 5.54 -31.19 3 4 1 58 239.302 1 ↓
Mid Mid (pH 6-8) 2.30 5.66 -10.94 2 4 0 57 238.294 1 ↓
Lo Low (pH 4.5-6) 2.30 5.97 -76.09 4 4 2 59 240.31 1 ↓

Analogs

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Popular Name: 2-methyl-5-(5-quinolyl)pyrazol-3-amine 2-methyl-5-(5-quinolyl)pyrazol-3…

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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) 1.93 5.17 -11.28 2 4 0 57 224.267 1 ↓
Mid Mid (pH 6-8) 1.93 4.87 -33.02 3 4 1 58 225.275 1 ↓
Lo Low (pH 4.5-6) 1.93 5.29 -77.78 4 4 2 59 226.283 1 ↓

Analogs

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Popular Name: 2-[5-amino-3-(5-quinolyl)pyrazol-1-yl]ethanol 2-[5-amino-3-(5-quinolyl)pyrazol…

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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) 1.29 2.69 -11.46 3 5 0 77 254.293 3 ↓
Mid Mid (pH 6-8) 1.29 2.38 -33.71 4 5 1 78 255.301 3 ↓
Lo Low (pH 4.5-6) 1.29 2.81 -79.85 5 5 2 79 256.309 3 ↓

Analogs

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Popular Name: 4-ethyl-2-methyl-5-(5-quinolyl)pyrazol-3-amine 4-ethyl-2-methyl-5-(5-quinolyl)p…

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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) 2.77 6.23 -31.19 3 4 1 58 253.329 2 ↓
Mid Mid (pH 6-8) 2.77 6.3 -10.83 2 4 0 57 252.321 2 ↓
Lo Low (pH 4.5-6) 2.77 6.65 -76.53 4 4 2 59 254.337 2 ↓

Analogs

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Popular Name: 4-isobutyl-2-methyl-5-(5-quinolyl)pyrazol-3-amine 4-isobutyl-2-methyl-5-(5-quinoly…

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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) 3.16 7.31 -31.66 3 4 1 58 281.383 3 ↓
Mid Mid (pH 6-8) 3.16 7.36 -10.61 2 4 0 57 280.375 3 ↓
Lo Low (pH 4.5-6) 3.16 7.78 -77.61 4 4 2 59 282.391 3 ↓

Parameters Provided:

ring.id = 214909
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 = 214909 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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