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

Analogs

12167611
12167611

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Popular Name: [4-[(3-fluorophenyl)methylamino]-5-methyl-thieno[4,5-e]pyrimidin-6-yl]-pyrrolidin-1-yl-methanone [4-[(3-fluorophenyl)methylamino]…

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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) 3.27 -1.51 -10.28 1 5 0 58 370.453 4 ↓

Analogs

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Popular Name: (2S)-1-[4-[(3-methoxyphenyl)methylamino]-5-methyl-thieno[4,5-e]pyrimidine-6-carbonyl]pyrrolidine-2-c (2S)-1-[4-[(3-methoxyphenyl)meth…

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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) 2.45 -4.53 -19.86 3 8 0 110 425.514 6 ↓

Analogs

12218843
12218843

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Popular Name: [4-[(2-methoxyphenyl)methylamino]-5-methyl-thieno[4,5-e]pyrimidin-6-yl]-pyrrolidin-1-yl-methanone [4-[(2-methoxyphenyl)methylamino…

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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) 3.14 -2.18 -10.59 1 6 0 67 382.489 5 ↓

Analogs

12125640
12125640

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Popular Name: (2S)-1-[4-[(2,3-dimethoxyphenyl)methylamino]-5-methyl-thieno[4,5-e]pyrimidine-6-carbonyl]pyrrolidine (2S)-1-[4-[(2,3-dimethoxyphenyl)…

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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) 2.23 -3.59 -21.14 3 9 0 120 455.54 7 ↓

Analogs

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Popular Name: methyl 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) 2.80 0.3 -17.98 1 9 0 103 470.551 8 ↓

Parameters Provided:

ring.id = 64519
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 = 64519 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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