UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-chloro-2-(2-thienylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine 4-chloro-2-(2-thienylmethyl)-6,7…

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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) 3.65 7.48 -6.53 0 2 0 26 250.754 2 ↓

Analogs

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Popular Name: 2-(2-thienylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine 2-(2-thienylmethyl)-6,7-dihydro-…

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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) 2.46 5.85 -7.64 2 3 0 52 231.324 2 ↓
Mid Mid (pH 6-8) 2.46 6.33 -27.91 3 3 1 53 232.332 2 ↓

Analogs

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Popular Name: N-methyl-2-(2-thienylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine N-methyl-2-(2-thienylmethyl)-6,7…

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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) 2.83 7.48 -27.19 2 3 1 39 246.359 3 ↓
Mid Mid (pH 6-8) 2.83 7 -7.93 1 3 0 38 245.351 3 ↓

Analogs

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Popular Name: N-ethyl-2-(2-thienylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine N-ethyl-2-(2-thienylmethyl)-6,7-…

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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) 3.21 8.33 -26.79 2 3 1 39 260.386 4 ↓
Mid Mid (pH 6-8) 3.21 7.83 -7.48 1 3 0 38 259.378 4 ↓

Analogs

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Popular Name: N-propyl-2-(2-thienylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine N-propyl-2-(2-thienylmethyl)-6,7…

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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) 3.71 9.08 -26.86 2 3 1 39 274.413 5 ↓
Mid Mid (pH 6-8) 3.71 8.59 -7.34 1 3 0 38 273.405 5 ↓

Analogs

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Popular Name: [2-(2-thienylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine [2-(2-thienylmethyl)-6,7-dihydro…

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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) 2.22 5.71 -8.62 3 4 0 64 246.339 3 ↓

Parameters Provided:

ring.id = 33033
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 = 33033 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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