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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: N-[(1R)-1-cyclopropyl-2-(2-naphthyloxy)ethyl]propan-1-amine N-[(1R)-1-cyclopropyl-2-(2-napht…

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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) 4.70 10.07 -39.95 2 2 1 26 270.396 7 ↓

Analogs

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Popular Name: N-[(1S)-1-cyclopropyl-2-(2-naphthyloxy)ethyl]propan-1-amine N-[(1S)-1-cyclopropyl-2-(2-napht…

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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) 4.70 9.95 -39.58 2 2 1 26 270.396 7 ↓

Analogs

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Popular Name: [1-cyclopropyl-2-(2-naphthyloxy)ethyl]amine hydrochloride [1-cyclopropyl-2-(2-naphthyloxy)…

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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) 2.91 6.69 -42.17 3 2 1 37 228.315 4 ↓
Hi High (pH 8-9.5) 2.91 6.36 -4.31 2 2 0 35 227.307 4 ↓

Analogs

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Popular Name: [1-cyclopropyl-2-(2-naphthyloxy)ethyl]amine hydrochloride [1-cyclopropyl-2-(2-naphthyloxy)…

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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) 2.91 6.69 -42.17 3 2 1 37 228.315 4 ↓
Hi High (pH 8-9.5) 2.91 6.33 -5.42 2 2 0 35 227.307 4 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-N-ethyl-2-(2-naphthyloxy)ethanamine (1R)-1-cyclopropyl-N-ethyl-2-(2-…

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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) 4.20 9.32 -39.16 2 2 1 26 256.369 6 ↓

Analogs

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Popular Name: (1S)-1-cyclopropyl-N-ethyl-2-(2-naphthyloxy)ethanamine (1S)-1-cyclopropyl-N-ethyl-2-(2-…

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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) 4.20 9.2 -38.8 2 2 1 26 256.369 6 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-N-methyl-2-(2-naphthyloxy)ethanamine (1R)-1-cyclopropyl-N-methyl-2-(2…

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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) 3.82 8.22 -37.97 2 2 1 26 242.342 5 ↓

Analogs

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Popular Name: (1S)-1-cyclopropyl-N-methyl-2-(2-naphthyloxy)ethanamine (1S)-1-cyclopropyl-N-methyl-2-(2…

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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) 3.82 8.37 -37.83 2 2 1 26 242.342 5 ↓

Analogs

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Popular Name: (2R)-2-cyclopropyl-2-(methylamino)-3-(2-naphthyloxy)propanenitrile (2R)-2-cyclopropyl-2-(methylamin…

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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) 3.67 6.79 -11.56 1 3 0 45 266.344 5 ↓
Lo Low (pH 4.5-6) 3.67 8.29 -54.89 2 3 1 50 267.352 5 ↓

Analogs

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Popular Name: (2S)-2-cyclopropyl-2-(methylamino)-3-(2-naphthyloxy)propanenitrile (2S)-2-cyclopropyl-2-(methylamin…

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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) 3.67 6.95 -10.32 1 3 0 45 266.344 5 ↓
Lo Low (pH 4.5-6) 3.67 8.41 -53.44 2 3 1 50 267.352 5 ↓

Analogs

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Popular Name: (2R)-2-cyclopropyl-2-(ethylamino)-3-(2-naphthyloxy)propanenitrile (2R)-2-cyclopropyl-2-(ethylamino…

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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) 4.05 8.56 -8.37 1 3 0 45 280.371 6 ↓
Lo Low (pH 4.5-6) 4.05 9.13 -52.04 2 3 1 50 281.379 6 ↓

Analogs

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Popular Name: (2S)-2-cyclopropyl-2-(ethylamino)-3-(2-naphthyloxy)propanenitrile (2S)-2-cyclopropyl-2-(ethylamino…

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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) 4.05 7.72 -10.51 1 3 0 45 280.371 6 ↓
Lo Low (pH 4.5-6) 4.05 9.25 -50.55 2 3 1 50 281.379 6 ↓

Analogs

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Popular Name: (2S)-2-amino-2-cyclopropyl-3-(2-naphthyloxy)propanenitrile (2S)-2-amino-2-cyclopropyl-3-(2-…

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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) 3.30 6.29 -11.26 2 3 0 59 252.317 4 ↓
Lo Low (pH 4.5-6) 3.30 6.66 -51.85 3 3 1 61 253.325 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-2-cyclopropyl-3-(2-naphthyloxy)propanenitrile (2R)-2-amino-2-cyclopropyl-3-(2-…

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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) 3.30 6.78 -9.83 2 3 0 59 252.317 4 ↓
Lo Low (pH 4.5-6) 3.30 7.05 -51.3 3 3 1 61 253.325 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopropyl-2-(2-naphthyloxy)ethanol (1R)-1-cyclopropyl-2-(2-naphthyl…

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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) 3.40 6.25 -6.84 1 2 0 29 228.291 4 ↓

Analogs

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Popular Name: (1S)-1-cyclopropyl-2-(2-naphthyloxy)ethanol (1S)-1-cyclopropyl-2-(2-naphthyl…

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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) 3.40 6.51 -6.7 1 2 0 29 228.291 4 ↓

Analogs

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Popular Name: (2S)-2-amino-2-cyclopropyl-3-(2-naphthyloxy)propanamide (2S)-2-amino-2-cyclopropyl-3-(2-…

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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) 2.25 3.84 -48.33 5 4 1 80 271.34 5 ↓
Mid Mid (pH 6-8) 2.25 3.5 -7.53 4 4 0 78 270.332 5 ↓

Analogs

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Popular Name: (2R)-2-amino-2-cyclopropyl-3-(2-naphthyloxy)propanamide (2R)-2-amino-2-cyclopropyl-3-(2-…

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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) 2.25 3.5 -48.07 5 4 1 80 271.34 5 ↓
Mid Mid (pH 6-8) 2.25 3.17 -9.42 4 4 0 78 270.332 5 ↓

Analogs

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Popular Name: (2R)-2-cyclopropyl-2-(methylamino)-3-(2-naphthyloxy)propanamide (2R)-2-cyclopropyl-2-(methylamin…

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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) 2.62 5.32 -54.01 4 4 1 69 285.367 6 ↓
Mid Mid (pH 6-8) 2.62 3.81 -11.61 3 4 0 64 284.359 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-cyclopropyl-2-(methylamino)-3-(2-naphthyloxy)propanamide (2S)-2-cyclopropyl-2-(methylamin…

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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) 2.62 5.15 -54.64 4 4 1 69 285.367 6 ↓
Mid Mid (pH 6-8) 2.62 3.81 -8.75 3 4 0 64 284.359 6 ↓

Analogs

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Popular Name: (2S)-2-amino-2-cyclopropyl-3-(2-naphthyloxy)propanoic (2S)-2-amino-2-cyclopropyl-3-(2-…

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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) 0.78 7.51 -39.9 3 4 0 77 271.316 5 ↓
Hi High (pH 8-9.5) 0.78 7.25 -53.54 2 4 -1 75 270.308 5 ↓

Analogs

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Popular Name: (2R)-2-amino-2-cyclopropyl-3-(2-naphthyloxy)propanoic (2R)-2-amino-2-cyclopropyl-3-(2-…

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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) 0.78 7.49 -39.64 3 4 0 77 271.316 5 ↓
Hi High (pH 8-9.5) 0.78 7.18 -54.5 2 4 -1 75 270.308 5 ↓

Analogs

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Popular Name: (2R)-2-cyclopropyl-2-(methylamino)-3-(2-naphthyloxy)propanoic (2R)-2-cyclopropyl-2-(methylamin…

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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) 1.16 9.35 -41.06 2 4 0 66 285.343 6 ↓
Hi High (pH 8-9.5) 1.16 7.92 -48.18 1 4 -1 61 284.335 6 ↓

Analogs

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Popular Name: (2S)-2-cyclopropyl-2-(methylamino)-3-(2-naphthyloxy)propanoic (2S)-2-cyclopropyl-2-(methylamin…

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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) 1.16 9.37 -42.59 2 4 0 66 285.343 6 ↓
Hi High (pH 8-9.5) 1.16 8.73 -50.9 1 4 -1 61 284.335 6 ↓

Analogs

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Popular Name: methyl methyl

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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) 3.38 7.3 -6.55 2 4 0 62 285.343 6 ↓
Lo Low (pH 4.5-6) 3.38 7.57 -42.41 3 4 1 63 286.351 6 ↓

Analogs

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Popular Name: methyl methyl

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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) 3.38 6.99 -5.89 2 4 0 62 285.343 6 ↓
Lo Low (pH 4.5-6) 3.38 7.3 -42.34 3 4 1 63 286.351 6 ↓

Parameters Provided:

ring.id = 270998
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 = 270998 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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