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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: (3S,4S)-3-[4-[(1R)-1-methylpropyl]piperazin-1-yl]chroman-4-amine (3S,4S)-3-[4-[(1R)-1-methylpropy…

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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) 0.41 5.07 -36.13 3 4 1 43 290.431 3 ↓
Hi High (pH 8-9.5) 0.41 3.24 -3.33 2 4 0 42 289.423 3 ↓
Mid Mid (pH 6-8) 0.41 5.34 -104.56 4 4 2 45 291.439 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4S)-3-[4-[(1S)-1-methylpropyl]piperazin-1-yl]chroman-4-amine (3S,4S)-3-[4-[(1S)-1-methylpropy…

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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) 0.41 5 -35.92 3 4 1 43 290.431 3 ↓
Hi High (pH 8-9.5) 0.41 3.1 -3.35 2 4 0 42 289.423 3 ↓
Mid Mid (pH 6-8) 0.41 5.28 -104.21 4 4 2 45 291.439 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4S)-3-[4-[(1R)-1-methylpropyl]piperazin-1-yl]chroman-4-amine (3R,4S)-3-[4-[(1R)-1-methylpropy…

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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) 0.41 4.42 -36.07 3 4 1 43 290.431 3 ↓
Hi High (pH 8-9.5) 0.41 2.59 -3.06 2 4 0 42 289.423 3 ↓
Mid Mid (pH 6-8) 0.41 4.73 -103.53 4 4 2 45 291.439 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4S)-3-[4-[(1S)-1-methylpropyl]piperazin-1-yl]chroman-4-amine (3R,4S)-3-[4-[(1S)-1-methylpropy…

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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) 0.41 4.43 -36.08 3 4 1 43 290.431 3 ↓
Hi High (pH 8-9.5) 0.41 2.54 -3.09 2 4 0 42 289.423 3 ↓
Mid Mid (pH 6-8) 0.41 4.75 -103.32 4 4 2 45 291.439 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4S)-3-[4-[(1R)-1-methylpropyl]piperazin-1-yl]chroman-4-ol (3R,4S)-3-[4-[(1R)-1-methylpropy…

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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) 2.11 4.4 -35.13 2 4 1 37 291.415 3 ↓
Hi High (pH 8-9.5) 2.11 2.57 -4.72 1 4 0 36 290.407 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4S)-3-[4-[(1S)-1-methylpropyl]piperazin-1-yl]chroman-4-ol (3R,4S)-3-[4-[(1S)-1-methylpropy…

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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) 2.11 4.41 -35.14 2 4 1 37 291.415 3 ↓
Hi High (pH 8-9.5) 2.11 2.49 -4.75 1 4 0 36 290.407 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4S)-3-[4-[(1R)-1-methylpropyl]piperazin-1-yl]chroman-4-ol (3S,4S)-3-[4-[(1R)-1-methylpropy…

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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) 2.11 4.61 -34.29 2 4 1 37 291.415 3 ↓
Hi High (pH 8-9.5) 2.11 2.68 -5.23 1 4 0 36 290.407 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4S)-3-[4-[(1S)-1-methylpropyl]piperazin-1-yl]chroman-4-ol (3S,4S)-3-[4-[(1S)-1-methylpropy…

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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) 2.11 4.61 -34.23 2 4 1 37 291.415 3 ↓
Hi High (pH 8-9.5) 2.11 2.73 -5.2 1 4 0 36 290.407 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4S)-3-(4-isobutylpiperazin-1-yl)chroman-4-amine (3S,4S)-3-(4-isobutylpiperazin-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) 0.33 5.33 -38.03 3 4 1 43 290.431 3 ↓
Hi High (pH 8-9.5) 0.33 3.36 -3.42 2 4 0 42 289.423 3 ↓
Mid Mid (pH 6-8) 0.33 5.61 -106.61 4 4 2 45 291.439 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4S)-3-(4-isobutylpiperazin-1-yl)chroman-4-amine (3R,4S)-3-(4-isobutylpiperazin-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) 0.33 4.76 -38.13 3 4 1 43 290.431 3 ↓
Hi High (pH 8-9.5) 0.33 2.91 -3.11 2 4 0 42 289.423 3 ↓
Mid Mid (pH 6-8) 0.33 5.07 -105.59 4 4 2 45 291.439 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4R)-3-(4-isobutylpiperazin-1-yl)chroman-4-amine (3S,4R)-3-(4-isobutylpiperazin-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) 0.33 4.43 -35.78 3 4 1 43 290.431 3 ↓
Hi High (pH 8-9.5) 0.33 2.48 -2.98 2 4 0 42 289.423 3 ↓
Mid Mid (pH 6-8) 0.33 4.94 -106.11 4 4 2 45 291.439 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4R)-3-(4-isobutylpiperazin-1-yl)chroman-4-amine (3R,4R)-3-(4-isobutylpiperazin-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) 0.33 5.01 -34.72 3 4 1 43 290.431 3 ↓
Hi High (pH 8-9.5) 0.33 3.05 -2.9 2 4 0 42 289.423 3 ↓
Mid Mid (pH 6-8) 0.33 5.93 -107.21 4 4 2 45 291.439 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4S)-3-(4-isobutylpiperazin-1-yl)chroman-4-ol (3R,4S)-3-(4-isobutylpiperazin-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) 2.03 4.74 -36.95 2 4 1 37 291.415 3 ↓
Hi High (pH 8-9.5) 2.03 2.76 -4.82 1 4 0 36 290.407 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4S)-3-(4-isobutylpiperazin-1-yl)chroman-4-ol (3S,4S)-3-(4-isobutylpiperazin-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) 2.03 4.94 -36.21 2 4 1 37 291.415 3 ↓
Hi High (pH 8-9.5) 2.03 2.98 -5.23 1 4 0 36 290.407 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4R)-3-(4-isobutylpiperazin-1-yl)chroman-4-ol (3R,4R)-3-(4-isobutylpiperazin-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) 2.03 4.32 -38.44 2 4 1 37 291.415 3 ↓
Hi High (pH 8-9.5) 2.03 2.37 -5.09 1 4 0 36 290.407 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4R)-3-(4-isobutylpiperazin-1-yl)chroman-4-ol (3S,4R)-3-(4-isobutylpiperazin-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) 2.03 4.74 -36.95 2 4 1 37 291.415 3 ↓
Hi High (pH 8-9.5) 2.03 2.76 -4.87 1 4 0 36 290.407 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4S)-3-(4-tert-butylpiperazin-1-yl)chroman-4-amine (3S,4S)-3-(4-tert-butylpiperazin…

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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) 0.39 4.71 -34.95 3 4 1 43 290.431 2 ↓
Hi High (pH 8-9.5) 0.39 2.85 -42.49 3 4 1 43 290.431 2 ↓
Hi High (pH 8-9.5) 0.39 2.56 -3.51 2 4 0 42 289.423 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4S)-3-(4-tert-butylpiperazin-1-yl)chroman-4-amine (3R,4S)-3-(4-tert-butylpiperazin…

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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) 0.39 4.05 -35.07 3 4 1 43 290.431 2 ↓
Hi High (pH 8-9.5) 0.39 2.25 -44.37 3 4 1 43 290.431 2 ↓
Hi High (pH 8-9.5) 0.39 1.92 -3.19 2 4 0 42 289.423 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4R)-3-(4-tert-butylpiperazin-1-yl)chroman-4-amine (3S,4R)-3-(4-tert-butylpiperazin…

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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) 0.39 3.73 -32.86 3 4 1 43 290.431 2 ↓
Hi High (pH 8-9.5) 0.39 2.12 -44.51 3 4 1 43 290.431 2 ↓
Hi High (pH 8-9.5) 0.39 1.61 -3.06 2 4 0 42 289.423 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4R)-3-(4-tert-butylpiperazin-1-yl)chroman-4-amine (3R,4R)-3-(4-tert-butylpiperazin…

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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) 0.39 4.31 -31.73 3 4 1 43 290.431 2 ↓
Hi High (pH 8-9.5) 0.39 3.08 -47.48 3 4 1 43 290.431 2 ↓
Hi High (pH 8-9.5) 0.39 2.18 -2.9 2 4 0 42 289.423 2 ↓

Parameters Provided:

ring.id = 391801
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 = 391801 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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