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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,3R,12bS)-N,N-diethyl-12b-methyl-4-oxo-3-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]- (1S,3R,12bS)-N,N-diethyl-12b-met…

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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) 4.74 14.22 -22.33 2 7 0 86 568.64 8 ↓

Analogs

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Popular Name: (1S,3S,12bS)-N,N-diethyl-12b-methyl-4-oxo-3-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]- (1S,3S,12bS)-N,N-diethyl-12b-met…

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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) 4.74 12.57 -20.59 2 7 0 86 568.64 8 ↓

Analogs

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Popular Name: (1S,3R,12bS)-N,N-diisopropyl-12b-methyl-4-oxo-3-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]eth (1S,3R,12bS)-N,N-diisopropyl-12b…

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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) 5.34 15.31 -20.73 2 7 0 86 596.694 8 ↓

Analogs

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Popular Name: (1S,3S,12bS)-N,N-diisopropyl-12b-methyl-4-oxo-3-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]eth (1S,3S,12bS)-N,N-diisopropyl-12b…

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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) 5.34 13.77 -19.49 2 7 0 86 596.694 8 ↓

Analogs

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Popular Name: (1S,3R,12bS)-9-chloro-3-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl]-N,N-diisopropyl-12b-methy (1S,3R,12bS)-9-chloro-3-[2-[(3,4…

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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) 4.77 14 -24.1 2 9 0 104 623.194 9 ↓

Analogs

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Popular Name: (1S,3R,12bS)-N,N-diisopropyl-9-methoxy-12b-methyl-4-oxo-3-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methy (1S,3R,12bS)-N,N-diisopropyl-9-m…

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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) 5.37 14.29 -23.23 2 8 0 95 626.72 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S,12bS)-N,N-diisopropyl-9-methoxy-12b-methyl-4-oxo-3-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methy (1S,3S,12bS)-N,N-diisopropyl-9-m…

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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) 5.37 12.17 -20.96 2 8 0 95 626.72 9 ↓

Analogs

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Popular Name: (1S,3R,12bS)-N,N-diethyl-9-methoxy-12b-methyl-4-oxo-3-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylami (1S,3R,12bS)-N,N-diethyl-9-metho…

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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) 4.78 13.44 -24.76 2 8 0 95 598.666 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S,12bS)-N,N-diethyl-9-methoxy-12b-methyl-4-oxo-3-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylami (1S,3S,12bS)-N,N-diethyl-9-metho…

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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) 4.78 12.22 -23.24 2 8 0 95 598.666 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R,12bS)-9-chloro-3-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl]-N,N-diethyl-12b-methyl-4- (1S,3R,12bS)-9-chloro-3-[2-[(3,4…

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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) 4.17 12.84 -25.85 2 9 0 104 595.14 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R,12bS)-9-chloro-N,N-diisopropyl-12b-methyl-4-oxo-3-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methyl (1S,3R,12bS)-9-chloro-N,N-diisop…

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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) 5.99 15.52 -21.49 2 7 0 86 631.139 8 ↓

Parameters Provided:

ring.id = 471919
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 = 471919 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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