UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-[(2S)-2-piperidyl]pyrimidine 5-[(2S)-2-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) -0.43 4.25 -42.1 2 3 1 42 164.232 1 ↓
Hi High (pH 8-9.5) -0.43 3.11 -3.45 1 3 0 38 163.224 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2R)-2-piperidyl]pyrimidine 5-[(2R)-2-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) -0.43 4.25 -42.08 2 3 1 42 164.232 1 ↓
Hi High (pH 8-9.5) -0.43 2.97 -4 1 3 0 38 163.224 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2S,4R)-4-methyl-2-piperidyl]pyrimidine 5-[(2S,4R)-4-methyl-2-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) -0.18 4.86 -43.16 2 3 1 42 178.259 1 ↓
Hi High (pH 8-9.5) -0.18 3.57 -3.86 1 3 0 38 177.251 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2S,4S)-4-methyl-2-piperidyl]pyrimidine 5-[(2S,4S)-4-methyl-2-piperidyl]…

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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) -0.18 4.63 -42.31 2 3 1 42 178.259 1 ↓
Hi High (pH 8-9.5) -0.18 3.34 -3.89 1 3 0 38 177.251 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2R,4R)-4-methyl-2-piperidyl]pyrimidine 5-[(2R,4R)-4-methyl-2-piperidyl]…

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) -0.18 4.64 -42.3 2 3 1 42 178.259 1 ↓
Hi High (pH 8-9.5) -0.18 3.47 -3.35 1 3 0 38 177.251 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2R,4S)-4-methyl-2-piperidyl]pyrimidine 5-[(2R,4S)-4-methyl-2-piperidyl]…

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) -0.18 4.86 -43.11 2 3 1 42 178.259 1 ↓
Hi High (pH 8-9.5) -0.18 3.7 -3.4 1 3 0 38 177.251 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2S,4R)-4-ethyl-2-piperidyl]pyrimidine 5-[(2S,4R)-4-ethyl-2-piperidyl]p…

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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 5.52 -43.75 2 3 1 42 192.286 2 ↓
Hi High (pH 8-9.5) 0.50 4.24 -3.85 1 3 0 38 191.278 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2S,4S)-4-ethyl-2-piperidyl]pyrimidine 5-[(2S,4S)-4-ethyl-2-piperidyl]p…

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) 0.50 5.25 -43.21 2 3 1 42 192.286 2 ↓
Hi High (pH 8-9.5) 0.50 3.97 -3.79 1 3 0 38 191.278 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2R,4R)-4-ethyl-2-piperidyl]pyrimidine 5-[(2R,4R)-4-ethyl-2-piperidyl]p…

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) 0.50 5.25 -43.2 2 3 1 42 192.286 2 ↓
Hi High (pH 8-9.5) 0.50 4.1 -3.32 1 3 0 38 191.278 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2R,4S)-4-ethyl-2-piperidyl]pyrimidine 5-[(2R,4S)-4-ethyl-2-piperidyl]p…

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) 0.50 5.52 -43.72 2 3 1 42 192.286 2 ↓
Hi High (pH 8-9.5) 0.50 4.37 -3.35 1 3 0 38 191.278 2 ↓

Parameters Provided:

ring.id = 269692
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 = 269692 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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