UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: tert-butyl tert-butyl

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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) 2.71 7.38 -7.54 0 5 0 55 297.786 3 ↓

Analogs

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Popular Name: 5-bromo-4-(4-piperidyl)pyrimidine 5-bromo-4-(4-piperidyl)pyrimidine

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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) 1.01 4.56 -41.16 2 3 1 42 243.128 1 ↓

Analogs

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Popular Name: 5-fluoro-4-(4-piperidyl)pyrimidine 5-fluoro-4-(4-piperidyl)pyrimidine

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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) 0.37 4.1 -41.26 2 3 1 42 182.222 1 ↓

Analogs

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Popular Name: 4-(4-piperidyl)pyrimidine-5-carbonitrile 4-(4-piperidyl)pyrimidine-5-carb…

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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) -0.21 4.29 -42.7 2 4 1 66 189.242 1 ↓

Analogs

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Popular Name: 4-(4-piperidyl)-5-(trifluoromethyl)pyrimidine 4-(4-piperidyl)-5-(trifluorometh…

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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) 0.93 4.88 -41.4 2 3 1 42 232.229 2 ↓

Analogs

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Popular Name: 4-methyl-6-(4-piperidyl)pyrimidine 4-methyl-6-(4-piperidyl)pyrimidine

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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) 0.50 4.5 -46.53 2 3 1 42 178.259 1 ↓

Analogs

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Popular Name: N-ethyl-2-methyl-6-(4-piperidyl)-N-propyl-pyrimidin-4-amine N-ethyl-2-methyl-6-(4-piperidyl)…

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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) 1.84 8.09 -46.41 2 4 1 46 263.409 5 ↓
Mid Mid (pH 6-8) 1.84 8.7 -91.4 3 4 2 47 264.417 5 ↓

Parameters Provided:

ring.id = 592525
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 = 592525 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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