UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (R)-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-(1-methylpyrazol-4-yl)methanol (R)-(1-methyl-3,4-dihydro-2H-qui…

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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) 1.82 5.26 -9.48 1 4 0 41 257.337 2 ↓
Lo Low (pH 4.5-6) 1.82 5.88 -37.87 2 4 1 42 258.345 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-(1-methylpyrazol-4-yl)methanol (S)-(1-methyl-3,4-dihydro-2H-qui…

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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) 1.82 5.24 -9.43 1 4 0 41 257.337 2 ↓
Lo Low (pH 4.5-6) 1.82 5.87 -37.96 2 4 1 42 258.345 2 ↓

Analogs

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Popular Name: (R)-(1-ethylpyrazol-4-yl)-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanol (R)-(1-ethylpyrazol-4-yl)-(1-met…

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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) 2.20 6.12 -9.24 1 4 0 41 271.364 3 ↓
Lo Low (pH 4.5-6) 2.20 6.75 -37.66 2 4 1 42 272.372 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(1-ethylpyrazol-4-yl)-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanol (S)-(1-ethylpyrazol-4-yl)-(1-met…

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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) 2.20 6.1 -9.18 1 4 0 41 271.364 3 ↓
Lo Low (pH 4.5-6) 2.20 6.74 -37.6 2 4 1 42 272.372 3 ↓

Analogs

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Popular Name: (R)-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-(1-propylpyrazol-4-yl)methanol (R)-(1-methyl-3,4-dihydro-2H-qui…

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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) 2.70 6.88 -8.97 1 4 0 41 285.391 4 ↓
Lo Low (pH 4.5-6) 2.70 7.51 -37.43 2 4 1 42 286.399 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-(1-propylpyrazol-4-yl)methanol (S)-(1-methyl-3,4-dihydro-2H-qui…

Find On: PubMed — Wikipedia — Google

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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) 2.70 6.86 -8.91 1 4 0 41 285.391 4 ↓
Lo Low (pH 4.5-6) 2.70 7.5 -37.3 2 4 1 42 286.399 4 ↓

Parameters Provided:

ring.id = 160526
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 = 160526 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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