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

Analogs

4984990
4984990

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Popular Name: (6aR)-5-[2-[(3S)-3-(hydroxymethyl)-1-piperidyl]-2-oxo-ethyl]-7,8,9,10-tetrahydro-6aH-pyrido[2,1-c][1 (6aR)-5-[2-[(3S)-3-(hydroxymethy…

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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) 0.53 5.71 -26.2 1 7 0 81 385.464 3 ↓

Analogs

4984990
4984990

Draw Identity 99% 90% 80% 70%

Popular Name: (6aS)-5-[2-[(3S)-3-(hydroxymethyl)-1-piperidyl]-2-oxo-ethyl]-7,8,9,10-tetrahydro-6aH-pyrido[2,1-c][1 (6aS)-5-[2-[(3S)-3-(hydroxymethy…

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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) 0.53 5.61 -16.1 1 7 0 81 385.464 3 ↓

Analogs

4984990
4984990

Draw Identity 99% 90% 80% 70%

Popular Name: (6aR)-5-[2-[(3R)-3-(hydroxymethyl)-1-piperidyl]-2-oxo-ethyl]-7,8,9,10-tetrahydro-6aH-pyrido[2,1-c][1 (6aR)-5-[2-[(3R)-3-(hydroxymethy…

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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) 0.53 5.71 -27 1 7 0 81 385.464 3 ↓

Analogs

4984990
4984990

Draw Identity 99% 90% 80% 70%

Popular Name: (6aS)-5-[2-[(3R)-3-(hydroxymethyl)-1-piperidyl]-2-oxo-ethyl]-7,8,9,10-tetrahydro-6aH-pyrido[2,1-c][1 (6aS)-5-[2-[(3R)-3-(hydroxymethy…

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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) 0.53 5.61 -17.21 1 7 0 81 385.464 3 ↓

Analogs

13624141
13624141
4374284
4374284

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Popular Name: ethyl ethyl

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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) 1.40 9.86 -15.8 0 8 0 87 427.501 5 ↓

Analogs

13624141
13624141
4374284
4374284

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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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) 1.40 9.86 -15.49 0 8 0 87 427.501 5 ↓

Analogs

13624141
13624141
4374284
4374284

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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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) 1.40 9.97 -24.62 0 8 0 87 427.501 5 ↓

Analogs

13624141
13624141
4374284
4374284

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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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) 1.40 9.97 -24.24 0 8 0 87 427.501 5 ↓

Analogs

4984990
4984990

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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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) 1.40 9.89 -17.92 0 8 0 87 427.501 5 ↓

Analogs

4984990
4984990

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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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) 1.40 10 -25.8 0 8 0 87 427.501 5 ↓

Analogs

9304027
9304027
13624141
13624141
13624139
13624139

Draw Identity 99% 90% 80% 70%

Popular Name: N-[1-[2-[(6aR)-6,12-dioxo-7,8,9,10-tetrahydro-6aH-pyrido[2,1-c][1,4]benzodiazepin-5-yl]acetyl]-4-pip N-[1-[2-[(6aR)-6,12-dioxo-7,8,9,…

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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) 0.81 7.17 -26.32 1 8 0 90 466.46 4 ↓

Analogs

9304027
9304027
13624141
13624141
13624139
13624139

Draw Identity 99% 90% 80% 70%

Popular Name: N-[1-[2-[(6aS)-6,12-dioxo-7,8,9,10-tetrahydro-6aH-pyrido[2,1-c][1,4]benzodiazepin-5-yl]acetyl]-4-pip N-[1-[2-[(6aS)-6,12-dioxo-7,8,9,…

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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) 0.81 7.06 -17.89 1 8 0 90 466.46 4 ↓

Parameters Provided:

ring.id = 603702
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 = 603702 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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