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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

43708161
43708161
43708162
43708162
43708163
43708163

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-piperidyl]-[(2S)-2-(3-pyridyl)pyrrolidin-1-yl]methanone [(3R)-3-piperidyl]-[(2S)-2-(3-py…

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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) 0.62 5.78 -44.73 2 4 1 50 260.361 2 ↓
Lo Low (pH 4.5-6) 0.62 6.24 -85.38 3 4 2 51 261.369 2 ↓

Analogs

43708161
43708161
43708162
43708162
43708163
43708163

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-piperidyl]-[(2R)-2-(3-pyridyl)pyrrolidin-1-yl]methanone [(3R)-3-piperidyl]-[(2R)-2-(3-py…

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) 0.62 5.95 -45.38 2 4 1 50 260.361 2 ↓
Lo Low (pH 4.5-6) 0.62 6.42 -89.01 3 4 2 51 261.369 2 ↓

Analogs

43708161
43708161
43708162
43708162
43708163
43708163

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-piperidyl]-[(2S)-2-(3-pyridyl)pyrrolidin-1-yl]methanone [(3S)-3-piperidyl]-[(2S)-2-(3-py…

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) 0.62 5.94 -44.98 2 4 1 50 260.361 2 ↓
Lo Low (pH 4.5-6) 0.62 6.41 -91.5 3 4 2 51 261.369 2 ↓

Analogs

43708161
43708161
43708162
43708162
43708163
43708163

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-piperidyl]-[(2R)-2-(3-pyridyl)pyrrolidin-1-yl]methanone [(3S)-3-piperidyl]-[(2R)-2-(3-py…

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) 0.62 5.78 -44.72 2 4 1 50 260.361 2 ↓
Lo Low (pH 4.5-6) 0.62 6.24 -85.37 3 4 2 51 261.369 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-ethyl-3-piperidyl]-[(2R)-2-(3-pyridyl)pyrrolidin-1-yl]methanone [(3S)-3-ethyl-3-piperidyl]-[(2R)…

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) 1.20 6.34 -48.3 2 4 1 50 288.415 3 ↓
Lo Low (pH 4.5-6) 1.20 6.82 -84.05 3 4 2 51 289.423 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-ethyl-3-piperidyl]-[(2R)-2-(3-pyridyl)pyrrolidin-1-yl]methanone [(3R)-3-ethyl-3-piperidyl]-[(2R)…

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) 1.20 6.53 -45.89 2 4 1 50 288.415 3 ↓
Lo Low (pH 4.5-6) 1.20 6.97 -94.64 3 4 2 51 289.423 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-ethyl-3-piperidyl]-[(2S)-2-(3-pyridyl)pyrrolidin-1-yl]methanone [(3S)-3-ethyl-3-piperidyl]-[(2S)…

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) 1.20 6.55 -44.61 2 4 1 50 288.415 3 ↓
Lo Low (pH 4.5-6) 1.20 7.04 -96.27 3 4 2 51 289.423 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-ethyl-3-piperidyl]-[(2S)-2-(3-pyridyl)pyrrolidin-1-yl]methanone [(3R)-3-ethyl-3-piperidyl]-[(2S)…

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) 1.20 6.25 -47.18 2 4 1 50 288.415 3 ↓
Lo Low (pH 4.5-6) 1.20 6.75 -83.15 3 4 2 51 289.423 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-methyl-3-piperidyl]-[(2R)-2-(3-pyridyl)pyrrolidin-1-yl]methanone [(3S)-3-methyl-3-piperidyl]-[(2R…

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) 0.86 6.02 -46.32 2 4 1 50 274.388 2 ↓
Lo Low (pH 4.5-6) 0.86 6.47 -82.8 3 4 2 51 275.396 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-methyl-3-piperidyl]-[(2R)-2-(3-pyridyl)pyrrolidin-1-yl]methanone [(3R)-3-methyl-3-piperidyl]-[(2R…

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) 0.86 6.02 -43.93 2 4 1 50 274.388 2 ↓
Lo Low (pH 4.5-6) 0.86 6.49 -95.51 3 4 2 51 275.396 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-methyl-3-piperidyl]-[(2S)-2-(3-pyridyl)pyrrolidin-1-yl]methanone [(3S)-3-methyl-3-piperidyl]-[(2S…

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) 0.86 5.99 -45.21 2 4 1 50 274.388 2 ↓
Lo Low (pH 4.5-6) 0.86 6.48 -93.8 3 4 2 51 275.396 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-methyl-3-piperidyl]-[(2S)-2-(3-pyridyl)pyrrolidin-1-yl]methanone [(3R)-3-methyl-3-piperidyl]-[(2S…

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) 0.86 6 -47.08 2 4 1 50 274.388 2 ↓
Lo Low (pH 4.5-6) 0.86 6.46 -83.45 3 4 2 51 275.396 2 ↓

Parameters Provided:

ring.id = 65680
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 = 65680 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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