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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: amino-(2-propylsulfanylpyrimidin-5-yl)BLAHcarbonitrile amino-(2-propylsulfanylpyrimidin…

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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) 3.08 4.7 -7.44 3 6 0 101 352.467 4 ↓

Analogs

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Popular Name: amino-(1-phenylpyrazol-4-yl)BLAHcarbonitrile amino-(1-phenylpyrazol-4-yl)BLAH…

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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) 2.16 5.93 -8.54 3 6 0 93 342.406 2 ↓
Lo Low (pH 4.5-6) 2.16 7.23 -47.39 4 6 1 97 343.414 2 ↓

Analogs

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Popular Name: amino-(5-methyl-2-pyrazol-1-yl-phenyl)BLAHcarbonitrile amino-(5-methyl-2-pyrazol-1-yl-p…

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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) 2.82 6.95 -8.85 3 6 0 93 356.433 2 ↓
Lo Low (pH 4.5-6) 2.82 8.26 -44.76 4 6 1 97 357.441 2 ↓

Analogs

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Popular Name: chloro-[(3-isopropoxyphenyl)methyl]BLAH chloro-[(3-isopropoxyphenyl)meth…

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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) 4.52 7.39 -4.81 0 3 0 25 342.87 4 ↓
Mid Mid (pH 6-8) 4.52 9.83 -41.54 1 3 1 27 343.878 4 ↓

Analogs

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Popular Name: chloro-[(2-isopropylpyrimidin-5-yl)methyl]BLAH chloro-[(2-isopropylpyrimidin-5-…

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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) 2.78 5.9 -5.57 0 4 0 42 328.847 3 ↓
Mid Mid (pH 6-8) 2.78 8.29 -44.97 1 4 1 43 329.855 3 ↓

Analogs

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Popular Name: amino-(4-fluoro-3-methyl-phenyl)-methyl-BLAHcarbonitrile amino-(4-fluoro-3-methyl-phenyl)…

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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) 3.29 5.73 -5.81 2 4 0 66 322.387 1 ↓
Mid Mid (pH 6-8) 3.29 8.29 -43.18 3 4 1 67 323.395 1 ↓

Analogs

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Popular Name: amino-(4-methoxy-2-methyl-phenyl)-methyl-BLAHcarbonitrile amino-(4-methoxy-2-methyl-phenyl…

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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 4.95 -6.77 2 5 0 75 334.423 2 ↓
Mid Mid (pH 6-8) 3.19 7.51 -42.93 3 5 1 76 335.431 2 ↓

Analogs

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Popular Name: amino-methyl-[2-(1-piperidyl)pyrimidin-5-yl]BLAHcarbonitrile amino-methyl-[2-(1-piperidyl)pyr…

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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) 2.84 7.67 -7.56 2 7 0 95 375.48 2 ↓
Mid Mid (pH 6-8) 2.84 10.22 -43.37 3 7 1 96 376.488 2 ↓

Analogs

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Popular Name: amino-methyl-(2-phenylpyrazol-3-yl)BLAHcarbonitrile amino-methyl-(2-phenylpyrazol-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) 2.36 5.62 -10.08 2 6 0 84 356.433 2 ↓
Mid Mid (pH 6-8) 2.36 8.18 -49.12 3 6 1 85 357.441 2 ↓

Analogs

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Popular Name: amino-methyl-(4-pyrazol-1-ylphenyl)BLAHcarbonitrile amino-methyl-(4-pyrazol-1-ylphen…

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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) 2.48 6.25 -9.01 2 6 0 84 356.433 2 ↓
Mid Mid (pH 6-8) 2.48 8.8 -45.12 3 6 1 85 357.441 2 ↓

Analogs

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Popular Name: amino-(3-chloro-4-fluoro-phenyl)-methyl-BLAHcarbonitrile amino-(3-chloro-4-fluoro-phenyl)…

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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) 3.52 5.61 -6.84 2 4 0 66 342.805 1 ↓
Lo Low (pH 4.5-6) 3.52 8.17 -45.88 3 4 1 67 343.813 1 ↓

Analogs

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Popular Name: amino-(4-methoxy-3-methyl-phenyl)-methyl-BLAHcarbonitrile amino-(4-methoxy-3-methyl-phenyl…

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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 5.08 -6.98 2 5 0 75 334.423 2 ↓
Mid Mid (pH 6-8) 3.19 7.64 -42.89 3 5 1 76 335.431 2 ↓

Analogs

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Popular Name: amino-(6-methoxy-1,3-benzodioxol-5-yl)-methyl-BLAHcarbonitrile amino-(6-methoxy-1,3-benzodioxol…

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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) 2.63 3.28 -9.03 2 7 0 94 364.405 2 ↓
Mid Mid (pH 6-8) 2.63 5.87 -44.7 3 7 1 95 365.413 2 ↓

Analogs

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Popular Name: amino-methyl-(2-methylsulfanylpyrimidin-5-yl)BLAHcarbonitrile amino-methyl-(2-methylsulfanylpy…

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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) 2.45 3.48 -7.73 2 6 0 92 338.44 2 ↓
Mid Mid (pH 6-8) 2.45 6.04 -44.82 3 6 1 93 339.448 2 ↓

Analogs

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Popular Name: amino-methyl-(3-pyrazol-1-ylphenyl)BLAHcarbonitrile amino-methyl-(3-pyrazol-1-ylphen…

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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) 2.66 6.25 -12.97 2 6 0 84 356.433 2 ↓
Mid Mid (pH 6-8) 2.66 8.8 -48.03 3 6 1 85 357.441 2 ↓

Analogs

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Popular Name: amino-[4-methoxy-3-(methoxymethyl)phenyl]-methyl-BLAHcarbonitrile amino-[4-methoxy-3-(methoxymethy…

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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) 2.69 4.29 -8.7 2 6 0 84 364.449 4 ↓
Mid Mid (pH 6-8) 2.69 6.85 -44.16 3 6 1 86 365.457 4 ↓

Analogs

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Popular Name: amino-(4-imidazol-1-ylphenyl)-methyl-BLAHcarbonitrile amino-(4-imidazol-1-ylphenyl)-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) 2.08 7.42 -9.66 2 6 0 84 356.433 2 ↓
Mid Mid (pH 6-8) 2.08 9.98 -48.24 3 6 1 85 357.441 2 ↓
Lo Low (pH 4.5-6) 2.08 10.49 -87.88 4 6 2 86 358.449 2 ↓

Parameters Provided:

ring.id = 29226
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 = 29226 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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