UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-(6-quinolyl)-1H-pyrazol-5-amine 3-(6-quinolyl)-1H-pyrazol-5-amine

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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) 1.58 3.73 -9.73 3 4 0 68 210.24 1 ↓
Lo Low (pH 4.5-6) 1.58 3.84 -35.22 4 4 1 69 211.248 1 ↓

Analogs

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Popular Name: 2,4-dimethyl-5-(6-quinolyl)pyrazol-3-amine 2,4-dimethyl-5-(6-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) 2.02 5.65 -31.61 3 4 1 58 239.302 1 ↓
Mid Mid (pH 6-8) 2.02 5.58 -10.77 2 4 0 57 238.294 1 ↓

Analogs

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Popular Name: 2-methyl-5-(6-quinolyl)pyrazol-3-amine 2-methyl-5-(6-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) 1.65 4.99 -10.79 2 4 0 57 224.267 1 ↓
Mid Mid (pH 6-8) 1.65 5.1 -33.26 3 4 1 58 225.275 1 ↓

Analogs

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Popular Name: 2-[5-amino-3-(6-quinolyl)pyrazol-1-yl]ethanol 2-[5-amino-3-(6-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) 1.01 2.51 -11.03 3 5 0 77 254.293 3 ↓
Mid Mid (pH 6-8) 1.01 2.63 -34.16 4 5 1 78 255.301 3 ↓

Analogs

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Popular Name: 4-ethyl-2-methyl-5-(6-quinolyl)pyrazol-3-amine 4-ethyl-2-methyl-5-(6-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) 2.49 6.4 -31.68 3 4 1 58 253.329 2 ↓
Mid Mid (pH 6-8) 2.49 6.25 -11.3 2 4 0 57 252.321 2 ↓

Analogs

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Popular Name: 4-isobutyl-2-methyl-5-(6-quinolyl)pyrazol-3-amine 4-isobutyl-2-methyl-5-(6-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) 2.88 7.52 -32.19 3 4 1 58 281.383 3 ↓
Mid Mid (pH 6-8) 2.88 7.32 -11.14 2 4 0 57 280.375 3 ↓

Parameters Provided:

ring.id = 214912
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 = 214912 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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