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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

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-2-[(2-isopropylpyrazol-3-yl)amino]-1-methyl-2-oxo-ethyl] [(1R)-2-[(2-isopropylpyrazol-3-y…

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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) 3.10 8.91 -28.37 1 10 0 123 473.555 6 ↓

Analogs

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Popular Name: [(1S)-2-[(2-isopropylpyrazol-3-yl)amino]-1-methyl-2-oxo-ethyl] [(1S)-2-[(2-isopropylpyrazol-3-y…

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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) 3.10 8.91 -28.36 1 10 0 123 473.555 6 ↓

Analogs

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Popular Name: N-[(2R)-2-morpholino-2-(2-thienyl)ethyl]-dioxo-BLAHcarboxamide N-[(2R)-2-morpholino-2-(2-thieny…

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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) 3.00 5.44 -28.83 1 8 0 91 488.635 5 ↓

Analogs

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Popular Name: N-[(2S)-2-morpholino-2-(2-thienyl)ethyl]-dioxo-BLAHcarboxamide N-[(2S)-2-morpholino-2-(2-thieny…

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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) 3.00 4.74 -33.69 1 8 0 91 488.635 5 ↓

Analogs

12592429
12592429
21184993
21184993
21713095
21713095
12513898
12513898

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Popular Name: (2-ethoxy-2-oxo-ethyl) (2-ethoxy-2-oxo-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) 2.86 7.32 -23.5 0 8 0 102 380.422 6 ↓

Analogs

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Popular Name: dioxo-N-[3-(2-oxoazepan-1-yl)propyl]BLAHcarboxamide dioxo-N-[3-(2-oxoazepan-1-yl)pro…

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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) 2.68 6.77 -35.31 1 8 0 99 446.573 5 ↓

Analogs

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Popular Name: N-[2-[(2,6-difluorophenyl)amino]-2-oxo-ethyl]-N-ethyl-dioxo-BLAHcarboxamide N-[2-[(2,6-difluorophenyl)amino]…

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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) 3.19 7.87 -30.7 1 8 0 99 490.532 5 ↓

Analogs

12537052
12537052
12537053
12537053
12537054
12537054

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-1-methyl-2-[(2R)-2-methylindolin-1-yl]-2-oxo-ethyl] [(1R)-1-methyl-2-[(2R)-2-methyli…

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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) 4.35 11.1 -25.58 0 8 0 96 481.574 4 ↓

Analogs

12537053
12537053
12537054
12537054
12537051
12537051

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-1-methyl-2-[(2S)-2-methylindolin-1-yl]-2-oxo-ethyl] [(1R)-1-methyl-2-[(2S)-2-methyli…

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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) 4.35 11.16 -27.62 0 8 0 96 481.574 4 ↓

Analogs

12537054
12537054
12537051
12537051
12537052
12537052

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-1-methyl-2-[(2R)-2-methylindolin-1-yl]-2-oxo-ethyl] [(1S)-1-methyl-2-[(2R)-2-methyli…

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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) 4.35 11.14 -27.66 0 8 0 96 481.574 4 ↓

Analogs

12537051
12537051
12537052
12537052
12537053
12537053

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-1-methyl-2-[(2S)-2-methylindolin-1-yl]-2-oxo-ethyl] [(1S)-1-methyl-2-[(2S)-2-methyli…

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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) 4.35 11.08 -25.47 0 8 0 96 481.574 4 ↓

Analogs

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Popular Name: chloro-dioxo-N-[3-(tetrazol-1-yl)phenyl]BLAHcarboxamide chloro-dioxo-N-[3-(tetrazol-1-yl…

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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) 2.79 7.11 -29.41 1 10 0 122 471.93 3 ↓

Analogs

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Popular Name: N-[(5-chloro-2-methoxy-phenyl)methyl]-N-methyl-dioxo-BLAHcarboxamide N-[(5-chloro-2-methoxy-phenyl)me…

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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) 3.48 8.28 -20.75 0 7 0 79 461.971 4 ↓

Analogs

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Popular Name: [2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl] [2-[(3-cyano-4,5,6,7-tetrahydrob…

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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) 4.07 10.06 -27.43 1 9 0 129 512.613 5 ↓

Analogs

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Popular Name: (2-ethylthiazol-4-yl)methyl (2-ethylthiazol-4-yl)methyl

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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) 3.94 8.1 -19.81 0 7 0 89 453.973 5 ↓

Analogs

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Popular Name: (3-isopropyl-1,2,4-oxadiazol-5-yl)methyl (3-isopropyl-1,2,4-oxadiazol-5-y…

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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) 3.35 5.76 -24.39 0 9 0 115 418.475 5 ↓

Analogs

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Popular Name: chloro-N-(6-morpholino-3-pyridyl)-dioxo-BLAHcarboxamide chloro-N-(6-morpholino-3-pyridyl…

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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) 3.17 5.22 -21.73 1 9 0 104 489.985 3 ↓
Mid Mid (pH 6-8) 3.17 5.51 -48.09 2 9 1 105 490.993 3 ↓

Analogs

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Popular Name: [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl [5-(3-thienyl)-1,2,4-oxadiazol-3…

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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) 3.85 6.96 -22.67 0 9 0 115 492.966 5 ↓

Analogs

12528082
12528082

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Popular Name: chloro-N-(cyclohexylmethyl)-dioxo-BLAHcarboxamide chloro-N-(cyclohexylmethyl)-diox…

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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) 4.54 7.49 -18.3 1 6 0 79 423.966 3 ↓

Analogs

7608981
7608981
12610057
12610057
12610058
12610058

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Popular Name: chloro-N-cycloheptyl-dioxo-BLAHcarboxamide chloro-N-cycloheptyl-dioxo-BLAHc…

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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) 4.66 -6.22 -17.33 1 6 0 78 423.966 2 ↓

Analogs

12526532
12526532

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Popular Name: N-[(2-methoxyphenyl)methyl]-dioxo-BLAHcarboxamide N-[(2-methoxyphenyl)methyl]-diox…

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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) 3.05 -5.81 -29.23 1 7 0 88 413.499 4 ↓

Analogs

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Popular Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-dioxo-BLAHcarboxamide N-(5-ethyl-1,3,4-thiadiazol-2-yl…

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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) 2.34 -5.58 -37.41 1 8 0 104 405.505 3 ↓

Parameters Provided:

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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 = 95098 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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