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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: (3R)-3-[(3-chlorophenyl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylic (3R)-3-[(3-chlorophenyl)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) 2.96 11.92 -56.05 1 6 -1 85 369.832 4 ↓
Lo Low (pH 4.5-6) 2.96 9.94 -10.68 2 6 0 82 370.84 4 ↓

Analogs

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Popular Name: (3S)-3-[(3-chlorophenyl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylic (3S)-3-[(3-chlorophenyl)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) 2.96 12.23 -55.07 1 6 -1 85 369.832 4 ↓
Lo Low (pH 4.5-6) 2.96 10.43 -14.11 2 6 0 82 370.84 4 ↓

Analogs

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Popular Name: [(3R)-3-[(3-chlorophenyl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-piperidyl]methanol [(3R)-3-[(3-chlorophenyl)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) 3.08 9.29 -8.58 2 5 0 65 356.857 4 ↓
Lo Low (pH 4.5-6) 3.08 9.75 -34.48 3 5 1 66 357.865 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-[(3-chlorophenyl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-piperidyl]methanol [(3S)-3-[(3-chlorophenyl)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) 3.08 9.44 -8.99 2 5 0 65 356.857 4 ↓
Lo Low (pH 4.5-6) 3.08 9.91 -35.82 3 5 1 66 357.865 4 ↓

Analogs

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Popular Name: (3S,4R)-3-benzyl-4-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ol (3S,4R)-3-benzyl-4-methyl-1-(7H-…

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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) 2.89 8.4 -9.99 2 5 0 65 322.412 3 ↓
Lo Low (pH 4.5-6) 2.89 8.86 -31.92 3 5 1 66 323.42 3 ↓

Parameters Provided:

ring.id = 25738
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 = 25738 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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