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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

11816729
11816729

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Popular Name: (3S)-1-[(3,4-difluorophenyl)methyl]-3-[[(1,3-dimethylpyrazol-4-yl)methyl-methyl-amino]methyl]-3-hydr (3S)-1-[(3,4-difluorophenyl)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) 1.17 1.56 -47.59 2 6 1 63 393.458 6 ↓

Analogs

11816728
11816728

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Popular Name: (3R)-1-[(3,4-difluorophenyl)methyl]-3-[[(1,3-dimethylpyrazol-4-yl)methyl-methyl-amino]methyl]-3-hydr (3R)-1-[(3,4-difluorophenyl)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) 1.17 0.98 -47.13 2 6 1 63 393.458 6 ↓

Analogs

11817821
11817821

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Popular Name: (3S)-1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl] (3S)-1-[(2,3-difluorophenyl)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) 0.93 0.92 -35.94 2 6 1 63 379.431 6 ↓

Analogs

11817820
11817820

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Popular Name: (3R)-1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl] (3R)-1-[(2,3-difluorophenyl)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) 0.93 0.64 -44.57 2 6 1 63 379.431 6 ↓

Analogs

11842593
11842593
12297656
12297656
12297657
12297657

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Popular Name: (3R)-1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl] (3R)-1-[(3,4-difluorophenyl)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) 0.95 0.81 -48.01 2 6 1 63 379.431 6 ↓

Analogs

12297656
12297656
12297657
12297657
11842592
11842592

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Popular Name: (3S)-1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl] (3S)-1-[(3,4-difluorophenyl)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) 0.95 1.1 -38.64 2 6 1 63 379.431 6 ↓

Analogs

12223713
12223713

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Popular Name: (3S)-1-[(3,4-difluorophenyl)methyl]-3-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-3-hydroxy-pipe (3S)-1-[(3,4-difluorophenyl)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) 0.93 -1.1 -50.42 3 6 1 75 379.431 6 ↓

Analogs

12223710
12223710

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Popular Name: (3R)-1-[(3,4-difluorophenyl)methyl]-3-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-3-hydroxy-pipe (3R)-1-[(3,4-difluorophenyl)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) 0.93 -0.68 -46.44 3 6 1 75 379.431 6 ↓

Analogs

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Popular Name: (3S)-3-hydroxy-1-[(4-isopropylphenyl)methyl]-3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]p (3S)-3-hydroxy-1-[(4-isopropylph…

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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) 2.21 9.32 -41.65 2 6 1 63 385.532 7 ↓
Mid Mid (pH 6-8) 2.21 7.27 -10.59 1 6 0 62 384.524 7 ↓

Analogs

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Popular Name: (3R)-3-hydroxy-1-[(4-isopropylphenyl)methyl]-3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]p (3R)-3-hydroxy-1-[(4-isopropylph…

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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) 2.21 9.59 -35.21 2 6 1 63 385.532 7 ↓
Mid Mid (pH 6-8) 2.21 7.31 -10.16 1 6 0 62 384.524 7 ↓

Analogs

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Popular Name: (3R)-3-[[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]methyl]-1-[(2-fluoro-5-methoxy-phenyl)methyl]-3-h (3R)-3-[[(3,5-dimethyl-1H-pyrazo…

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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) 0.98 4.06 -48.21 4 7 1 95 391.467 7 ↓
Mid Mid (pH 6-8) 0.98 3.62 -12.29 3 7 0 90 390.459 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]methyl]-1-[(2-fluoro-5-methoxy-phenyl)methyl]-3-h (3S)-3-[[(3,5-dimethyl-1H-pyrazo…

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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) 0.98 4.08 -46.28 4 7 1 95 391.467 7 ↓
Mid Mid (pH 6-8) 0.98 2.82 -10.86 3 7 0 90 390.459 7 ↓

Analogs

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Popular Name: (3R)-3-[[(1,5-dimethylpyrazol-4-yl)methyl-methyl-amino]methyl]-3-hydroxy-1-[(3-methoxyphenyl)methyl] (3R)-3-[[(1,5-dimethylpyrazol-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) 0.95 7.52 -35.77 2 7 1 72 387.504 7 ↓
Mid Mid (pH 6-8) 0.95 4.95 -13.67 1 7 0 71 386.496 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[[(1,5-dimethylpyrazol-4-yl)methyl-methyl-amino]methyl]-3-hydroxy-1-[(3-methoxyphenyl)methyl] (3S)-3-[[(1,5-dimethylpyrazol-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) 0.95 7.27 -43.12 2 7 1 72 387.504 7 ↓
Mid Mid (pH 6-8) 0.95 5.27 -14.19 1 7 0 71 386.496 7 ↓

Parameters Provided:

ring.id = 49351
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 = 49351 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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