UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2S)-1-[4-[2-(4-pyridyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]propan-2-ol (2S)-1-[4-[2-(4-pyridyl)-6,7-dih…

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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) 1.56 4.94 -8.76 1 6 0 65 339.443 4 ↓
Mid Mid (pH 6-8) 1.56 5.27 -31.63 2 6 1 67 340.451 4 ↓
Mid Mid (pH 6-8) 1.56 7.21 -42.66 2 6 1 67 340.451 4 ↓

Analogs

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Popular Name: (2R)-1-[4-[2-(4-pyridyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]propan-2-ol (2R)-1-[4-[2-(4-pyridyl)-6,7-dih…

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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) 1.56 5 -8.77 1 6 0 65 339.443 4 ↓
Mid Mid (pH 6-8) 1.56 5.35 -31.5 2 6 1 67 340.451 4 ↓
Mid Mid (pH 6-8) 1.56 7.26 -42.63 2 6 1 67 340.451 4 ↓

Analogs

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Popular Name: 4-[4-(2-methoxyethyl)piperazin-1-yl]-2-(4-pyridyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine 4-[4-(2-methoxyethyl)piperazin-1…

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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) 1.82 6.57 -8.38 0 6 0 54 339.443 5 ↓
Mid Mid (pH 6-8) 1.82 9.21 -82.86 2 6 2 57 341.459 5 ↓
Mid Mid (pH 6-8) 1.82 6.92 -31.08 1 6 1 56 340.451 5 ↓

Parameters Provided:

ring.id = 384094
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 = 384094 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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