UCSF
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Analogs

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Popular Name: 4-chloro-2-(1-phenylcyclopropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine 4-chloro-2-(1-phenylcyclopropyl)…

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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) 3.81 10.34 -6.49 0 2 0 26 270.763 2 ↓

Analogs

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Popular Name: 2-(1-phenylcyclopropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine 2-(1-phenylcyclopropyl)-6,7-dihy…

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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) 2.61 8.05 -24.42 3 3 1 53 252.341 2 ↓
Mid Mid (pH 6-8) 2.61 8.71 -7.87 2 3 0 52 251.333 2 ↓

Analogs

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Popular Name: N-methyl-2-(1-phenylcyclopropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine N-methyl-2-(1-phenylcyclopropyl)…

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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) 2.99 9.66 -22.58 2 3 1 39 266.368 3 ↓
Mid Mid (pH 6-8) 2.99 9.85 -8.06 1 3 0 38 265.36 3 ↓

Analogs

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Popular Name: N-ethyl-2-(1-phenylcyclopropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine N-ethyl-2-(1-phenylcyclopropyl)-…

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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) 3.36 10.34 -23.14 2 3 1 39 280.395 4 ↓
Mid Mid (pH 6-8) 3.36 10.69 -7.64 1 3 0 38 279.387 4 ↓

Analogs

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Popular Name: [2-(1-phenylcyclopropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine [2-(1-phenylcyclopropyl)-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) 2.37 8.58 -8.62 3 4 0 64 266.348 3 ↓

Parameters Provided:

ring.id = 271186
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 = 271186 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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