UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-Chloro-2-phenoxymethyl-6,7-dihydro-5H-cyclopentapyrimidine 4-Chloro-2-phenoxymethyl-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) 3.45 7.27 -8.29 0 3 0 35 260.724 3 ↓

Analogs

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

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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) 2.25 5.64 -9.82 2 4 0 61 241.294 3 ↓
Mid Mid (pH 6-8) 2.25 6.37 -25.16 3 4 1 62 242.302 3 ↓

Analogs

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

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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) 2.62 6.8 -10.08 1 4 0 47 255.321 4 ↓
Mid Mid (pH 6-8) 2.62 7.52 -24.38 2 4 1 48 256.329 4 ↓

Analogs

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

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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) 3.00 7.62 -9.64 1 4 0 47 269.348 5 ↓
Mid Mid (pH 6-8) 3.00 8.36 -23.86 2 4 1 48 270.356 5 ↓

Analogs

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

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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) 3.50 8.38 -9.5 1 4 0 47 283.375 6 ↓
Mid Mid (pH 6-8) 3.50 9.12 -24.01 2 4 1 48 284.383 6 ↓

Analogs

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Popular Name: (2-Phenoxymethyl-6,7-dihydro-5H-cyclopentapyrimidin-4-yl)-hydrazine (2-Phenoxymethyl-6,7-dihydro-5H-…

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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) 2.01 5.5 -10.98 3 5 0 73 256.309 4 ↓

Parameters Provided:

ring.id = 125917
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 = 125917 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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