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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: (1S,5R)-7-isopropyl-3-thia-7-azabicyclo[3.3.1]nonan-9-one (1S,5R)-7-isopropyl-3-thia-7-aza…

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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) 1.17 6.01 -3.85 0 2 0 20 199.319 1 ↓

Analogs

36455803
36455803

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Popular Name: (1S,5R)-9-thiabicyclo[3.3.1]nonan-3-one (1S,5R)-9-thiabicyclo[3.3.1]nona…

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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) 1.29 5.12 -4.53 0 1 0 17 156.25 0 ↓

Analogs

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Popular Name: (3S)-3-(bis(6-aminohexyl)amino)tetrahydrothiopyran-4-one (3S)-3-(bis(6-aminohexyl)amino)t…

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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) 0.87 6.96 -150.46 7 4 3 77 332.578 13 ↓

Analogs

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Popular Name: (3R)-3-(bis(6-aminohexyl)amino)tetrahydrothiopyran-4-one (3R)-3-(bis(6-aminohexyl)amino)t…

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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) 0.87 6.94 -150.17 7 4 3 77 332.578 13 ↓

Analogs

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Popular Name: (2R,3R)-2-amino-N-[(1S)-2-[6-aminohexyl-[(3S)-4-oxotetrahydrothiopyran-3-yl]amino]-1-benzyl-2-oxo-et (2R,3R)-2-amino-N-[(1S)-2-[6-ami…

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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) 1.22 9.4 -95.91 7 7 2 122 492.73 14 ↓

Analogs

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Popular Name: (2R,3S)-2-amino-N-[(1S)-2-[6-aminohexyl-[(3S)-4-oxotetrahydrothiopyran-3-yl]amino]-1-benzyl-2-oxo-et (2R,3S)-2-amino-N-[(1S)-2-[6-ami…

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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) 1.22 9.59 -99.36 7 7 2 122 492.73 14 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R)-2-amino-N-[(1S)-2-[6-aminohexyl-[(3R)-4-oxotetrahydrothiopyran-3-yl]amino]-1-benzyl-2-oxo-et (2R,3R)-2-amino-N-[(1S)-2-[6-ami…

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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) 1.22 9.3 -94.87 7 7 2 122 492.73 14 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S)-2-amino-N-[(1S)-2-[6-aminohexyl-[(3R)-4-oxotetrahydrothiopyran-3-yl]amino]-1-benzyl-2-oxo-et (2R,3S)-2-amino-N-[(1S)-2-[6-ami…

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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) 1.22 9.34 -97.27 7 7 2 122 492.73 14 ↓

Analogs

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Popular Name: (2R,3R)-2-amino-N-[(1S)-1-benzyl-2-oxo-2-[[(3S)-4-oxotetrahydrothiopyran-3-yl]amino]ethyl]-3-methyl- (2R,3R)-2-amino-N-[(1S)-1-benzyl…

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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 5.38 -46.02 5 6 1 103 392.545 8 ↓

Analogs

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Popular Name: (2R,3S)-2-amino-N-[(1S)-1-benzyl-2-oxo-2-[[(3S)-4-oxotetrahydrothiopyran-3-yl]amino]ethyl]-3-methyl- (2R,3S)-2-amino-N-[(1S)-1-benzyl…

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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 5.69 -47.26 5 6 1 103 392.545 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R)-2-amino-N-[(1S)-1-benzyl-2-oxo-2-[[(3R)-4-oxotetrahydrothiopyran-3-yl]amino]ethyl]-3-methyl- (2R,3R)-2-amino-N-[(1S)-1-benzyl…

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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 5.36 -45.98 5 6 1 103 392.545 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S)-2-amino-N-[(1S)-1-benzyl-2-oxo-2-[[(3R)-4-oxotetrahydrothiopyran-3-yl]amino]ethyl]-3-methyl- (2R,3S)-2-amino-N-[(1S)-1-benzyl…

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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 5.57 -45.81 5 6 1 103 392.545 8 ↓

Parameters Provided:

ring.id = 53503
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 = 53503 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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