UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[2-(4-fluoro-3-methyl-phenyl)-2-oxo-ethyl]sulfanyl-5,6-dimethyl-1H-thieno[3,2-e]pyrimidin-4-one 2-[2-(4-fluoro-3-methyl-phenyl)-…

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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) 4.51 8.03 -18.47 1 4 0 63 362.451 4 ↓
Hi High (pH 8-9.5) 4.96 7.19 -44.39 0 4 -1 66 361.443 4 ↓
Mid Mid (pH 6-8) 4.51 8.35 -15.05 1 4 0 63 362.451 4 ↓

Analogs

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Popular Name: 3-allyl-2-[2-(3,4-dimethylphenyl)-2-oxo-ethyl]sulfanyl-thieno[2,3-d]pyrimidin-4-one 3-allyl-2-[2-(3,4-dimethylphenyl…

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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) 4.35 11.19 -12.13 0 4 0 52 370.499 6 ↓

Analogs

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Popular Name: 2-[2-(5-fluoro-2-methoxy-phenyl)-2-oxo-ethyl]sulfanyl-3-methyl-thieno[3,2-e]pyrimidin-4-one 2-[2-(5-fluoro-2-methoxy-phenyl)…

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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) 3.03 9.24 -14.18 0 5 0 61 364.423 5 ↓

Analogs

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Popular Name: 3-allyl-2-[(1S)-1-methyl-2-oxo-2-phenyl-ethyl]sulfanyl-thieno[2,3-d]pyrimidin-4-one 3-allyl-2-[(1S)-1-methyl-2-oxo-2…

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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) 3.88 10.82 -11.32 0 4 0 52 356.472 6 ↓

Analogs

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Popular Name: 3-allyl-2-[(1R)-1-methyl-2-oxo-2-phenyl-ethyl]sulfanyl-thieno[2,3-d]pyrimidin-4-one 3-allyl-2-[(1R)-1-methyl-2-oxo-2…

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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) 3.88 10.83 -11.34 0 4 0 52 356.472 6 ↓

Analogs

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Popular Name: 3-allyl-2-[2-(2,4-dimethylphenyl)-2-oxo-ethyl]sulfanyl-thieno[2,3-d]pyrimidin-4-one 3-allyl-2-[2-(2,4-dimethylphenyl…

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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) 4.35 11.32 -11.39 0 4 0 52 370.499 6 ↓

Analogs

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Popular Name: 3-allyl-2-[2-[4-(difluoromethoxy)phenyl]-2-oxo-ethyl]sulfanyl-thieno[2,3-d]pyrimidin-4-one 3-allyl-2-[2-[4-(difluoromethoxy…

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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) 4.14 9.56 -15.19 0 5 0 61 408.451 8 ↓

Analogs

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Popular Name: 3-allyl-2-[2-(4-isopropylphenyl)-2-oxo-ethyl]sulfanyl-thieno[2,3-d]pyrimidin-4-one 3-allyl-2-[2-(4-isopropylphenyl)…

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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) 5.04 11.89 -11.59 0 4 0 52 384.526 7 ↓

Analogs

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Popular Name: 3-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-7-methyl-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien 3-[2-(4-methoxyphenyl)-2-oxo-eth…

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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) 3.80 -1.6 -12.62 1 5 0 72 346.433 5 ↓

Parameters Provided:

ring.id = 42265
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 = 42265 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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