UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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31944308
31944308
31944336
31944336
31944348
31944348
31944772
31944772
31944773
31944773

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Popular Name: 3-ethyl-9-(2-furyl)-4-methylsulfanyl-7-thia-3,5-diazabicyclo[4.3.0]nona-4,8,10-trien-2-one 3-ethyl-9-(2-furyl)-4-methylsulf…

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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) 2.97 8.46 -13.35 0 4 0 48 292.385 3 ↓

Analogs

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Popular Name: 5-(2-furyl)-2-[(1S)-1-isobutylsulfanylethyl]-3H-thieno[2,3-d]pyrimidin-4-one 5-(2-furyl)-2-[(1S)-1-isobutylsu…

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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) 3.69 9.55 -13.36 1 4 0 59 334.466 5 ↓
Hi High (pH 8-9.5) 4.15 7.46 -52.19 0 4 -1 62 333.458 5 ↓

Analogs

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Popular Name: 5-(2-furyl)-2-[(1R)-1-isobutylsulfanylethyl]-3H-thieno[2,3-d]pyrimidin-4-one 5-(2-furyl)-2-[(1R)-1-isobutylsu…

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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) 3.69 9.55 -13.35 1 4 0 59 334.466 5 ↓
Hi High (pH 8-9.5) 4.15 7.46 -52.27 0 4 -1 62 333.458 5 ↓

Analogs

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Popular Name: 5-(2-furyl)-2-(2,2,2-trifluoroethoxymethyl)-3H-thieno[2,3-d]pyrimidin-4-one 5-(2-furyl)-2-(2,2,2-trifluoroet…

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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) 2.59 6 -19.64 1 5 0 68 330.287 5 ↓
Hi High (pH 8-9.5) 3.05 3.88 -52.35 0 5 -1 71 329.279 5 ↓

Analogs

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Popular Name: 2-[[5-(2-furyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methoxy]acetic 2-[[5-(2-furyl)-4-oxo-3H-thieno[…

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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) 0.92 6.15 -56.5 1 7 -1 108 305.291 5 ↓
Hi High (pH 8-9.5) 1.37 4.06 -115.17 0 7 -2 111 304.283 5 ↓

Parameters Provided:

ring.id = 6295
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 = 6295 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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