UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

25825
25825
26058
26058

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Popular Name: N-cyclohexyl-2-methyl-6,7-dihydro-5H-cyclopenta[e]pyrimidin-4-amine N-cyclohexyl-2-methyl-6,7-dihydr…

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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) 2.86 -1.78 -6.34 1 3 0 38 231.343 2 ↓

Analogs

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Popular Name: N-[(1S,2R,4R)-2,4-dimethylcyclohexyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine N-[(1S,2R,4R)-2,4-dimethylcycloh…

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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) 3.02 9.53 -5.15 1 3 0 38 245.37 2 ↓
Mid Mid (pH 6-8) 3.02 9.96 -27.36 2 3 1 39 246.378 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2R,4S)-2,4-dimethylcyclohexyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine N-[(1S,2R,4S)-2,4-dimethylcycloh…

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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) 3.02 8.91 -5.51 1 3 0 38 245.37 2 ↓
Mid Mid (pH 6-8) 3.02 9.34 -27.53 2 3 1 39 246.378 2 ↓

Analogs

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

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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) 3.02 9.24 -5.45 1 3 0 38 245.37 2 ↓
Mid Mid (pH 6-8) 3.02 9.68 -27.48 2 3 1 39 246.378 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2R,4S)-2,4-dimethylcyclohexyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine N-[(1R,2R,4S)-2,4-dimethylcycloh…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.02 9.01 -5.48 1 3 0 38 245.37 2 ↓
Mid Mid (pH 6-8) 3.02 9.44 -27.57 2 3 1 39 246.378 2 ↓

Parameters Provided:

ring.id = 74664
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 = 74664 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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