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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: fluoro-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-methyl-BLAHone fluoro-[[(3S)-3-hydroxypyrrolidi…

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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 9.19 -53.32 2 5 1 60 416.476 2 ↓
Mid Mid (pH 6-8) 3.35 6.57 -12.02 1 5 0 58 415.468 2 ↓

Analogs

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Popular Name: aminomethyl-fluoro-methyl-BLAHone aminomethyl-fluoro-methyl-BLAHone

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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) 3.25 7.62 -65.56 3 4 1 63 346.385 1 ↓
Mid Mid (pH 6-8) 3.25 7.21 -11.15 2 4 0 61 345.377 1 ↓

Analogs

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Popular Name: fluoro-methyl-[(4-methylpiperazin-1-yl)methyl]BLAHone fluoro-methyl-[(4-methylpiperazi…

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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) 3.76 10.65 -48.54 1 5 1 43 429.519 2 ↓
Hi High (pH 8-9.5) 3.76 8.29 -10.98 0 5 0 41 428.511 2 ↓

Analogs

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Popular Name: fluoro-[(3-imidazol-1-ylpropylamino)methyl]-methyl-BLAHone fluoro-[(3-imidazol-1-ylpropylam…

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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) 3.57 14.21 -126.3 3 6 2 71 455.537 6 ↓
Hi High (pH 8-9.5) 3.57 12.33 -18.29 1 6 0 65 453.521 6 ↓
Mid Mid (pH 6-8) 3.57 13.7 -75.54 2 6 1 69 454.529 6 ↓

Analogs

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Popular Name: chloromethyl(dimethoxy)BLAHone chloromethyl(dimethoxy)BLAHone

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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) 3.75 9.45 -13.69 0 5 0 53 392.842 3 ↓

Analogs

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Popular Name: chloro-[(3-imidazol-1-ylpropylamino)methyl]BLAHone chloro-[(3-imidazol-1-ylpropylam…

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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) 3.71 14.01 -118.27 3 6 2 71 457.965 6 ↓
Hi High (pH 8-9.5) 3.71 12.13 -16.19 1 6 0 65 455.949 6 ↓
Mid Mid (pH 6-8) 3.71 13.5 -68.52 2 6 1 69 456.957 6 ↓

Analogs

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Popular Name: [(3S)-3-hydroxypyrrolidin-1-yl]methyl-dimethoxy-BLAHone [(3S)-3-hydroxypyrrolidin-1-yl]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) 2.46 7.74 -52.66 2 7 1 78 444.511 4 ↓
Mid Mid (pH 6-8) 2.46 5.06 -14.13 1 7 0 77 443.503 4 ↓

Analogs

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Popular Name: chloro-[(3-imidazol-1-ylpropylamino)methyl]BLAHone chloro-[(3-imidazol-1-ylpropylam…

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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) 3.69 14.21 -106.28 3 6 2 71 457.965 6 ↓
Mid Mid (pH 6-8) 3.69 13.1 -40.89 2 6 1 66 456.957 6 ↓
Mid Mid (pH 6-8) 3.69 12.59 -16.17 1 6 0 65 455.949 6 ↓

Analogs

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Popular Name: chloro-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]BLAHone chloro-[[(3S)-3-hydroxypyrrolidi…

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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) 3.47 9.09 -38.64 2 5 1 60 418.904 2 ↓
Mid Mid (pH 6-8) 3.47 7.32 -12.21 1 5 0 58 417.896 2 ↓

Analogs

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Popular Name: chloro(imidazol-1-ylmethyl)BLAHone chloro(imidazol-1-ylmethyl)BLAHone

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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 13.01 -44.56 1 5 1 54 399.861 2 ↓
Mid Mid (pH 6-8) 3.85 12.5 -15.05 0 5 0 53 398.853 2 ↓

Analogs

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Popular Name: chloro-[(3-imidazol-1-ylpropylamino)methyl]BLAHone chloro-[(3-imidazol-1-ylpropylam…

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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) 3.71 14.02 -125.25 3 6 2 71 457.965 6 ↓
Hi High (pH 8-9.5) 3.71 12.14 -17.16 1 6 0 65 455.949 6 ↓
Mid Mid (pH 6-8) 3.71 13.51 -74.23 2 6 1 69 456.957 6 ↓

Analogs

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Popular Name: chloro-[(4-methylpiperazin-1-yl)methyl]BLAHone chloro-[(4-methylpiperazin-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) 3.87 11.56 -41.92 1 5 1 43 431.947 2 ↓
Hi High (pH 8-9.5) 3.87 9.19 -10.85 0 5 0 41 430.939 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: chloro-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]BLAHone chloro-[[(3S)-3-hydroxypyrrolidi…

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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) 3.49 8.82 -47.34 2 5 1 60 418.904 2 ↓
Mid Mid (pH 6-8) 3.49 6.34 -11.26 1 5 0 58 417.896 2 ↓

Parameters Provided:

ring.id = 188536
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 = 188536 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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