UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

42259638
42259638

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Popular Name: 2-[[[(1R)-1-(o-tolyl)ethyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[[[(1R)-1-(o-tolyl)ethyl]amino…

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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) 2.77 7.11 -55.5 3 4 1 62 300.407 4 ↓
Mid Mid (pH 6-8) 3.22 4.48 -47.26 2 4 0 65 299.399 4 ↓

Analogs

42259636
42259636

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Popular Name: 2-[[[(1S)-1-(o-tolyl)ethyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[[[(1S)-1-(o-tolyl)ethyl]amino…

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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) 2.77 7.13 -55.75 3 4 1 62 300.407 4 ↓
Mid Mid (pH 6-8) 3.22 4.5 -47.4 2 4 0 65 299.399 4 ↓

Analogs

42259688
42259688

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Popular Name: 2-[[[(1S)-1-(2-fluorophenyl)ethyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[[[(1S)-1-(2-fluorophenyl)ethy…

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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) 2.48 6.7 -55.2 3 4 1 62 304.37 4 ↓
Hi High (pH 8-9.5) 2.94 2.95 -48.98 1 4 -1 61 302.354 4 ↓
Mid Mid (pH 6-8) 2.48 5.57 -12.39 2 4 0 58 303.362 4 ↓

Analogs

42259686
42259686

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Popular Name: 2-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[[[(1R)-1-(2-fluorophenyl)ethy…

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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) 2.48 6.68 -55.07 3 4 1 62 304.37 4 ↓
Hi High (pH 8-9.5) 2.94 3.06 -48.39 1 4 -1 61 302.354 4 ↓
Mid Mid (pH 6-8) 2.48 5.69 -12.76 2 4 0 58 303.362 4 ↓

Analogs

42259730
42259730

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Popular Name: 2-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[[[(1S)-1-(3-fluorophenyl)ethy…

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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) 2.51 6.65 -60 3 4 1 62 304.37 4 ↓
Hi High (pH 8-9.5) 2.51 5.55 -12.9 2 4 0 58 303.362 4 ↓
Mid Mid (pH 6-8) 2.96 4.02 -50.82 2 4 0 65 303.362 4 ↓

Analogs

42259728
42259728

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Popular Name: 2-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[[[(1R)-1-(3-fluorophenyl)ethy…

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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) 2.51 6.63 -59.98 3 4 1 62 304.37 4 ↓
Hi High (pH 8-9.5) 2.51 5.55 -13.76 2 4 0 58 303.362 4 ↓
Mid Mid (pH 6-8) 2.96 4 -50.01 2 4 0 65 303.362 4 ↓

Parameters Provided:

ring.id = 617000
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 = 617000 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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