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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: (4R)-6-bromo-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]chroman-4-amine (4R)-6-bromo-N-[(1S)-1-(4-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) 1.29 7.37 -45.65 2 5 1 57 338.229 3 ↓
Hi High (pH 8-9.5) 1.29 6.84 -13.16 1 5 0 52 337.221 3 ↓

Analogs

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Popular Name: (4R)-6-bromo-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]chroman-4-amine (4R)-6-bromo-N-[(1R)-1-(4-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) 1.29 8.01 -47.21 2 5 1 57 338.229 3 ↓
Hi High (pH 8-9.5) 1.29 6.98 -13.94 1 5 0 52 337.221 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-6-bromo-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]chroman-4-amine (4S)-6-bromo-N-[(1S)-1-(4-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) 1.29 8.02 -47.4 2 5 1 57 338.229 3 ↓
Hi High (pH 8-9.5) 1.29 7.11 -13.54 1 5 0 52 337.221 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-6-bromo-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]chroman-4-amine (4S)-6-bromo-N-[(1R)-1-(4-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) 1.29 7.36 -45.43 2 5 1 57 338.229 3 ↓
Hi High (pH 8-9.5) 1.29 7.14 -13.54 1 5 0 52 337.221 3 ↓

Analogs

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Popular Name: (4R)-6-methoxy-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]chroman-4-amine (4R)-6-methoxy-N-[(1S)-1-(4-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) 0.54 6.03 -44.38 2 6 1 66 289.359 4 ↓
Hi High (pH 8-9.5) 0.54 5.52 -14.98 1 6 0 61 288.351 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-6-methoxy-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]chroman-4-amine (4R)-6-methoxy-N-[(1R)-1-(4-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) 0.54 6.67 -46.1 2 6 1 66 289.359 4 ↓
Hi High (pH 8-9.5) 0.54 5.65 -15.52 1 6 0 61 288.351 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-6-methoxy-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]chroman-4-amine (4S)-6-methoxy-N-[(1S)-1-(4-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) 0.54 6.68 -46.3 2 6 1 66 289.359 4 ↓
Hi High (pH 8-9.5) 0.54 5.78 -15.3 1 6 0 61 288.351 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-6-methoxy-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]chroman-4-amine (4S)-6-methoxy-N-[(1R)-1-(4-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) 0.54 6.01 -44.1 2 6 1 66 289.359 4 ↓
Hi High (pH 8-9.5) 0.54 5.81 -15.4 1 6 0 61 288.351 4 ↓

Analogs

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Popular Name: (4R)-6,8-dichloro-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]chroman-4-amine (4R)-6,8-dichloro-N-[(1S)-1-(4-m…

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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 7.82 -49.14 2 5 1 57 328.223 3 ↓
Mid Mid (pH 6-8) 1.76 7.29 -13.26 1 5 0 52 327.215 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-6,8-dichloro-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]chroman-4-amine (4R)-6,8-dichloro-N-[(1R)-1-(4-m…

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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 8.46 -50.7 2 5 1 57 328.223 3 ↓
Mid Mid (pH 6-8) 1.76 7.43 -14.28 1 5 0 52 327.215 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-6,8-dichloro-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]chroman-4-amine (4S)-6,8-dichloro-N-[(1S)-1-(4-m…

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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 8.47 -50.97 2 5 1 57 328.223 3 ↓
Mid Mid (pH 6-8) 1.76 7.56 -13.78 1 5 0 52 327.215 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-6,8-dichloro-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]chroman-4-amine (4S)-6,8-dichloro-N-[(1R)-1-(4-m…

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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 7.81 -48.85 2 5 1 57 328.223 3 ↓
Mid Mid (pH 6-8) 1.76 7.6 -13.86 1 5 0 52 327.215 3 ↓

Parameters Provided:

ring.id = 558045
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 = 558045 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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