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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: (1R)-N-[(1-methylpyrazol-4-yl)methyl]indan-1-amine (1R)-N-[(1-methylpyrazol-4-yl)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) 1.72 7.07 -43.43 2 3 1 34 228.319 3 ↓
Hi High (pH 8-9.5) 1.72 5.76 -6.17 1 3 0 30 227.311 3 ↓

Analogs

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Popular Name: (1S)-N-[(1-methylpyrazol-4-yl)methyl]indan-1-amine (1S)-N-[(1-methylpyrazol-4-yl)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) 1.72 7.07 -44.77 2 3 1 34 228.319 3 ↓
Hi High (pH 8-9.5) 1.72 5.79 -8.33 1 3 0 30 227.311 3 ↓

Analogs

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Popular Name: (1R)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]indan-1-amine (1R)-N-[(1,3,5-trimethylpyrazol-…

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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 7.9 -44.71 2 3 1 34 256.373 3 ↓
Hi High (pH 8-9.5) 2.16 6.58 -6.67 1 3 0 30 255.365 3 ↓

Analogs

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Popular Name: (1S)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]indan-1-amine (1S)-N-[(1,3,5-trimethylpyrazol-…

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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 8.04 -43.11 2 3 1 34 256.373 3 ↓
Hi High (pH 8-9.5) 2.16 6.74 -7.17 1 3 0 30 255.365 3 ↓

Analogs

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Popular Name: (1R)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]indan-1-amine (1R)-N-[(3,5-dimethyl-1H-pyrazol…

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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) 2.09 6.66 -41.26 3 3 1 45 242.346 3 ↓
Hi High (pH 8-9.5) 2.09 5.52 -5.49 2 3 0 41 241.338 3 ↓

Analogs

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Popular Name: (1S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]indan-1-amine (1S)-N-[(3,5-dimethyl-1H-pyrazol…

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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) 2.09 6.82 -44.2 3 3 1 45 242.346 3 ↓
Hi High (pH 8-9.5) 2.09 5.38 -6.99 2 3 0 41 241.338 3 ↓

Analogs

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Popular Name: (1R,2S)-1-[(5-ethoxy-1-isobutyl-3-methyl-pyrazol-4-yl)methylamino]indan-2-ol (1R,2S)-1-[(5-ethoxy-1-isobutyl-…

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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) 2.70 6.19 -31.93 3 5 1 64 344.479 7 ↓
Hi High (pH 8-9.5) 2.70 5.07 -8.05 2 5 0 59 343.471 7 ↓

Analogs

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Popular Name: 4-[[[(1R)-4-fluoroindan-1-yl]amino]methyl]-N,N,2,5-tetramethyl-pyrazol-3-amine 4-[[[(1R)-4-fluoroindan-1-yl]ami…

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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) 2.28 7.77 -30.61 2 4 1 34 303.405 4 ↓
Mid Mid (pH 6-8) 2.28 7.68 -6.93 1 4 0 33 302.397 4 ↓
Mid Mid (pH 6-8) 2.28 9.16 -45.88 2 4 1 38 303.405 4 ↓

Analogs

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Popular Name: 4-[[[(1S)-4-fluoroindan-1-yl]amino]methyl]-N,N,2,5-tetramethyl-pyrazol-3-amine 4-[[[(1S)-4-fluoroindan-1-yl]ami…

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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) 2.28 7.87 -30.86 2 4 1 34 303.405 4 ↓
Mid Mid (pH 6-8) 2.28 7.79 -7.36 1 4 0 33 302.397 4 ↓
Mid Mid (pH 6-8) 2.28 8.93 -44.49 2 4 1 38 303.405 4 ↓

Analogs

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Popular Name: N,N,2,5-tetramethyl-4-[[[(1S)-5-methylindan-1-yl]amino]methyl]pyrazol-3-amine N,N,2,5-tetramethyl-4-[[[(1S)-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) 2.59 8.45 -25.55 2 4 1 34 299.442 4 ↓
Hi High (pH 8-9.5) 2.59 8.31 -5.35 1 4 0 33 298.434 4 ↓
Mid Mid (pH 6-8) 2.59 9.49 -38.76 2 4 1 38 299.442 4 ↓

Analogs

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Popular Name: N,N,2,5-tetramethyl-4-[[[(1R)-5-methylindan-1-yl]amino]methyl]pyrazol-3-amine N,N,2,5-tetramethyl-4-[[[(1R)-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) 2.59 8.43 -27.86 2 4 1 34 299.442 4 ↓
Hi High (pH 8-9.5) 2.59 8.29 -6.3 1 4 0 33 298.434 4 ↓
Mid Mid (pH 6-8) 2.59 9.73 -41.1 2 4 1 38 299.442 4 ↓

Analogs

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Popular Name: 4-[[[(1R)-indan-1-yl]amino]methyl]-5-isopropyl-N,N,2-trimethyl-pyrazol-3-amine 4-[[[(1R)-indan-1-yl]amino]methy…

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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) 3.22 9.2 -23.92 2 4 1 34 313.469 5 ↓
Hi High (pH 8-9.5) 3.22 9.03 -4.94 1 4 0 33 312.461 5 ↓
Mid Mid (pH 6-8) 3.22 10.2 -38.37 2 4 1 38 313.469 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[[(1S)-indan-1-yl]amino]methyl]-5-isopropyl-N,N,2-trimethyl-pyrazol-3-amine 4-[[[(1S)-indan-1-yl]amino]methy…

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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) 3.22 9.16 -25.81 2 4 1 34 313.469 5 ↓
Hi High (pH 8-9.5) 3.22 8.99 -5.81 1 4 0 33 312.461 5 ↓
Mid Mid (pH 6-8) 3.22 10.13 -39.44 2 4 1 38 313.469 5 ↓

Analogs

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Popular Name: 4-[[[(1R)-4-chloroindan-1-yl]amino]methyl]-N,N,2,5-tetramethyl-pyrazol-3-amine 4-[[[(1R)-4-chloroindan-1-yl]ami…

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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) 2.80 8.2 -29.37 2 4 1 34 319.86 4 ↓
Mid Mid (pH 6-8) 2.80 8.11 -6.09 1 4 0 33 318.852 4 ↓
Mid Mid (pH 6-8) 2.80 9.59 -44.6 2 4 1 38 319.86 4 ↓

Analogs

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Popular Name: 4-[[[(1S)-4-chloroindan-1-yl]amino]methyl]-N,N,2,5-tetramethyl-pyrazol-3-amine 4-[[[(1S)-4-chloroindan-1-yl]ami…

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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) 2.80 8.32 -29.58 2 4 1 34 319.86 4 ↓
Mid Mid (pH 6-8) 2.80 8.21 -6.59 1 4 0 33 318.852 4 ↓
Mid Mid (pH 6-8) 2.80 9.36 -43.23 2 4 1 38 319.86 4 ↓

Analogs

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Popular Name: (1R)-N-[(1-tert-butylpyrazol-4-yl)methyl]indan-1-amine (1R)-N-[(1-tert-butylpyrazol-4-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) 2.90 8.97 -40.59 2 3 1 34 270.4 4 ↓
Hi High (pH 8-9.5) 2.90 7.82 -5.3 1 3 0 30 269.392 4 ↓

Analogs

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Popular Name: (1S)-N-[(1-tert-butylpyrazol-4-yl)methyl]indan-1-amine (1S)-N-[(1-tert-butylpyrazol-4-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) 2.90 9.13 -43.08 2 3 1 34 270.4 4 ↓
Hi High (pH 8-9.5) 2.90 7.74 -6.85 1 3 0 30 269.392 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(3-isopropyl-1-methyl-pyrazol-4-yl)methyl]indan-1-amine (1R)-N-[(3-isopropyl-1-methyl-py…

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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 8.8 -42.96 2 3 1 34 270.4 4 ↓
Hi High (pH 8-9.5) 3.00 7.65 -5.97 1 3 0 30 269.392 4 ↓

Analogs

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Popular Name: (1S)-N-[(3-isopropyl-1-methyl-pyrazol-4-yl)methyl]indan-1-amine (1S)-N-[(3-isopropyl-1-methyl-py…

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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 8.95 -45.09 2 3 1 34 270.4 4 ↓
Hi High (pH 8-9.5) 3.00 7.55 -6.99 1 3 0 30 269.392 4 ↓

Parameters Provided:

ring.id = 26082
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 = 26082 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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