UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-[2-(2-thienylmethylamino)ethyl]thieno[3,2-d]pyrimidin-4-one 3-[2-(2-thienylmethylamino)ethyl…

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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) 1.90 7.4 -54.12 2 4 1 52 292.409 5 ↓
Hi High (pH 8-9.5) 1.90 6.05 -13.15 1 4 0 47 291.401 5 ↓

Analogs

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Popular Name: 3-[2-[(3-methyl-2-thienyl)methylamino]ethyl]thieno[3,2-d]pyrimidin-4-one 3-[2-[(3-methyl-2-thienyl)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) 2.27 7.98 -53.9 2 4 1 52 306.436 5 ↓
Hi High (pH 8-9.5) 2.27 6.61 -13.09 1 4 0 47 305.428 5 ↓

Analogs

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Popular Name: 3-[2-[(5-chloro-2-thienyl)methylamino]ethyl]thieno[3,2-d]pyrimidin-4-one 3-[2-[(5-chloro-2-thienyl)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) 2.70 8.02 -58.28 2 4 1 52 326.854 5 ↓
Hi High (pH 8-9.5) 2.70 6.67 -12.94 1 4 0 47 325.846 5 ↓

Analogs

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Popular Name: 3-[2-[(5-methyl-2-thienyl)methylamino]ethyl]thieno[3,2-d]pyrimidin-4-one 3-[2-[(5-methyl-2-thienyl)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) 2.12 8.23 -54.04 2 4 1 52 306.436 5 ↓
Hi High (pH 8-9.5) 2.12 6.88 -13.41 1 4 0 47 305.428 5 ↓

Analogs

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Popular Name: 3-[2-[(4-bromo-2-thienyl)methylamino]ethyl]thieno[3,2-d]pyrimidin-4-one 3-[2-[(4-bromo-2-thienyl)methyla…

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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) 2.63 8.01 -57.77 2 4 1 52 371.305 5 ↓
Hi High (pH 8-9.5) 2.63 6.66 -13.17 1 4 0 47 370.297 5 ↓

Analogs

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Popular Name: 3-[2-[[(1S)-1-(2-thienyl)ethyl]amino]ethyl]thieno[3,2-d]pyrimidin-4-one 3-[2-[[(1S)-1-(2-thienyl)ethyl]a…

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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 7.93 -51.2 2 4 1 52 306.436 5 ↓
Hi High (pH 8-9.5) 2.45 6.71 -13.29 1 4 0 47 305.428 5 ↓

Analogs

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Popular Name: 3-[2-[[(1R)-1-(2-thienyl)ethyl]amino]ethyl]thieno[3,2-d]pyrimidin-4-one 3-[2-[[(1R)-1-(2-thienyl)ethyl]a…

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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 7.93 -51.8 2 4 1 52 306.436 5 ↓
Hi High (pH 8-9.5) 2.45 6.73 -12.9 1 4 0 47 305.428 5 ↓

Parameters Provided:

ring.id = 74064
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 = 74064 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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