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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1S)-1-aminoindan-4-yl]oxymethyl]pyridine-2-carbonitrile 3-[[(1S)-1-aminoindan-4-yl]oxyme…

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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) 0.22 5.49 -51.37 3 4 1 74 266.324 3 ↓
Hi High (pH 8-9.5) 0.22 5.18 -7.65 2 4 0 72 265.316 3 ↓

Analogs

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Popular Name: 3-[[(1R)-1-aminoindan-4-yl]oxymethyl]pyridine-2-carbonitrile 3-[[(1R)-1-aminoindan-4-yl]oxyme…

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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) 0.22 5.49 -52.21 3 4 1 74 266.324 3 ↓
Hi High (pH 8-9.5) 0.22 5.19 -8.54 2 4 0 72 265.316 3 ↓

Analogs

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Popular Name: (1S)-4-(3-pyridylmethoxy)indan-1-amine (1S)-4-(3-pyridylmethoxy)indan-1…

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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) 0.06 5.14 -47.17 3 3 1 50 241.314 3 ↓
Hi High (pH 8-9.5) 0.06 4.83 -6.17 2 3 0 48 240.306 3 ↓
Lo Low (pH 4.5-6) 0.06 5.61 -86.04 4 3 2 51 242.322 3 ↓

Analogs

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Popular Name: (1R)-4-(3-pyridylmethoxy)indan-1-amine (1R)-4-(3-pyridylmethoxy)indan-1…

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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) 0.06 5.14 -49.2 3 3 1 50 241.314 3 ↓
Hi High (pH 8-9.5) 0.06 4.84 -7.09 2 3 0 48 240.306 3 ↓
Lo Low (pH 4.5-6) 0.06 5.61 -85.56 4 3 2 51 242.322 3 ↓

Analogs

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Popular Name: 3-[[(1R)-1-(methylamino)indan-4-yl]oxymethyl]pyridine-2-carbonitrile 3-[[(1R)-1-(methylamino)indan-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) 2.47 7.14 -46.18 2 4 1 63 280.351 4 ↓
Hi High (pH 8-9.5) 2.47 5.9 -7.35 1 4 0 58 279.343 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1S)-1-(methylamino)indan-4-yl]oxymethyl]pyridine-2-carbonitrile 3-[[(1S)-1-(methylamino)indan-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) 2.47 7.29 -46.41 2 4 1 63 280.351 4 ↓
Hi High (pH 8-9.5) 2.47 5.83 -8.55 1 4 0 58 279.343 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-methyl-4-(3-pyridylmethoxy)indan-1-amine (1R)-N-methyl-4-(3-pyridylmethox…

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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) 2.31 6.79 -42.42 2 3 1 39 255.341 4 ↓
Hi High (pH 8-9.5) 2.31 5.55 -5.93 1 3 0 34 254.333 4 ↓
Lo Low (pH 4.5-6) 2.31 7.26 -80.53 3 3 2 40 256.349 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-methyl-4-(3-pyridylmethoxy)indan-1-amine (1S)-N-methyl-4-(3-pyridylmethox…

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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) 2.31 6.95 -43.08 2 3 1 39 255.341 4 ↓
Hi High (pH 8-9.5) 2.31 5.48 -6.88 1 3 0 34 254.333 4 ↓
Lo Low (pH 4.5-6) 2.31 7.41 -80.73 3 3 2 40 256.349 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-ethyl-4-(3-pyridylmethoxy)indan-1-amine (1R)-N-ethyl-4-(3-pyridylmethoxy…

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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 7.63 -40.98 2 3 1 39 269.368 5 ↓
Lo Low (pH 4.5-6) 2.69 8.1 -79.42 3 3 2 40 270.376 5 ↓

Analogs

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Popular Name: (1S)-N-ethyl-4-(3-pyridylmethoxy)indan-1-amine (1S)-N-ethyl-4-(3-pyridylmethoxy…

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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 7.81 -41.67 2 3 1 39 269.368 5 ↓
Lo Low (pH 4.5-6) 2.69 8.27 -79.8 3 3 2 40 270.376 5 ↓

Analogs

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Popular Name: (1R)-N-propyl-4-(3-pyridylmethoxy)indan-1-amine (1R)-N-propyl-4-(3-pyridylmethox…

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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 8.39 -41.72 2 3 1 39 283.395 6 ↓
Lo Low (pH 4.5-6) 3.19 8.86 -80.4 3 3 2 40 284.403 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-propyl-4-(3-pyridylmethoxy)indan-1-amine (1S)-N-propyl-4-(3-pyridylmethox…

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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 8.57 -42.43 2 3 1 39 283.395 6 ↓
Lo Low (pH 4.5-6) 3.19 9.03 -80.89 3 3 2 40 284.403 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1S)-1-hydroxyindan-4-yl]oxymethyl]pyridine-2-carbonitrile 3-[[(1S)-1-hydroxyindan-4-yl]oxy…

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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) 1.92 4.87 -9.24 1 4 0 66 266.3 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1R)-1-hydroxyindan-4-yl]oxymethyl]pyridine-2-carbonitrile 3-[[(1R)-1-hydroxyindan-4-yl]oxy…

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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) 1.92 4.88 -9.6 1 4 0 66 266.3 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-4-(3-pyridylmethoxy)indan-1-ol (1S)-4-(3-pyridylmethoxy)indan-1-ol

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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) 1.76 4.52 -8.35 1 3 0 42 241.29 3 ↓
Lo Low (pH 4.5-6) 1.76 4.99 -36.35 2 3 1 44 242.298 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-4-(3-pyridylmethoxy)indan-1-ol (1R)-4-(3-pyridylmethoxy)indan-1-ol

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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) 1.76 4.53 -8.1 1 3 0 42 241.29 3 ↓
Lo Low (pH 4.5-6) 1.76 5 -36.94 2 3 1 44 242.298 3 ↓

Parameters Provided:

ring.id = 273368
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 = 273368 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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