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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-[(3R)-1,1-dioxothiolan-3-yl]chroman-4-amine (4R)-6-bromo-N-[(3R)-1,1-dioxoth…

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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) 1.22 3.39 -62.8 2 4 1 60 347.254 2 ↓
Hi High (pH 8-9.5) 1.22 2.59 -13.16 1 4 0 55 346.246 2 ↓

Analogs

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Popular Name: (4S)-6-bromo-N-[(3R)-1,1-dioxothiolan-3-yl]chroman-4-amine (4S)-6-bromo-N-[(3R)-1,1-dioxoth…

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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) 1.22 2.73 -61.92 2 4 1 60 347.254 2 ↓
Hi High (pH 8-9.5) 1.22 2.27 -13.24 1 4 0 55 346.246 2 ↓

Analogs

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Popular Name: (4R)-6-bromo-N-[(3S)-1,1-dioxothiolan-3-yl]chroman-4-amine (4R)-6-bromo-N-[(3S)-1,1-dioxoth…

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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) 1.22 2.75 -62.11 2 4 1 60 347.254 2 ↓
Hi High (pH 8-9.5) 1.22 2.53 -14.82 1 4 0 55 346.246 2 ↓

Analogs

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Popular Name: (4S)-6-bromo-N-[(3S)-1,1-dioxothiolan-3-yl]chroman-4-amine (4S)-6-bromo-N-[(3S)-1,1-dioxoth…

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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) 1.22 3.41 -63.25 2 4 1 60 347.254 2 ↓
Hi High (pH 8-9.5) 1.22 2.38 -13.99 1 4 0 55 346.246 2 ↓

Analogs

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Popular Name: (4R)-N-[(3R)-1,1-dioxothiolan-3-yl]-6-methoxy-chroman-4-amine (4R)-N-[(3R)-1,1-dioxothiolan-3-…

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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) 0.47 2.06 -61.37 2 5 1 69 298.384 3 ↓
Hi High (pH 8-9.5) 0.47 1.27 -14.36 1 5 0 65 297.376 3 ↓

Analogs

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Popular Name: (4S)-N-[(3R)-1,1-dioxothiolan-3-yl]-6-methoxy-chroman-4-amine (4S)-N-[(3R)-1,1-dioxothiolan-3-…

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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) 0.47 1.39 -60.43 2 5 1 69 298.384 3 ↓
Hi High (pH 8-9.5) 0.47 0.95 -14.49 1 5 0 65 297.376 3 ↓

Analogs

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Popular Name: (4R)-N-[(3S)-1,1-dioxothiolan-3-yl]-6-methoxy-chroman-4-amine (4R)-N-[(3S)-1,1-dioxothiolan-3-…

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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) 0.47 1.41 -60.53 2 5 1 69 298.384 3 ↓
Hi High (pH 8-9.5) 0.47 1.2 -16.13 1 5 0 65 297.376 3 ↓

Analogs

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Popular Name: (4S)-N-[(3S)-1,1-dioxothiolan-3-yl]-6-methoxy-chroman-4-amine (4S)-N-[(3S)-1,1-dioxothiolan-3-…

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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) 0.47 2.07 -61.79 2 5 1 69 298.384 3 ↓
Hi High (pH 8-9.5) 0.47 1.05 -15.1 1 5 0 65 297.376 3 ↓

Analogs

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Popular Name: (4R)-6,8-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]chroman-4-amine (4R)-6,8-dichloro-N-[(3R)-1,1-di…

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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) 1.70 3.84 -67.66 2 4 1 60 337.248 2 ↓
Hi High (pH 8-9.5) 1.70 3.05 -14.1 1 4 0 55 336.24 2 ↓

Analogs

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Popular Name: (4S)-6,8-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]chroman-4-amine (4S)-6,8-dichloro-N-[(3R)-1,1-di…

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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) 1.70 3.18 -67.05 2 4 1 60 337.248 2 ↓
Hi High (pH 8-9.5) 1.70 2.71 -14.16 1 4 0 55 336.24 2 ↓

Analogs

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Popular Name: (4R)-6,8-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]chroman-4-amine (4R)-6,8-dichloro-N-[(3S)-1,1-di…

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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) 1.70 3.19 -66.94 2 4 1 60 337.248 2 ↓
Hi High (pH 8-9.5) 1.70 2.98 -15.72 1 4 0 55 336.24 2 ↓

Analogs

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Popular Name: (4S)-6,8-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]chroman-4-amine (4S)-6,8-dichloro-N-[(3S)-1,1-di…

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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) 1.70 3.87 -67.98 2 4 1 60 337.248 2 ↓
Hi High (pH 8-9.5) 1.70 2.83 -15.05 1 4 0 55 336.24 2 ↓

Analogs

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Popular Name: (4R)-6-bromo-N-[(3S)-3-methyl-1,1-dioxo-thiolan-3-yl]chroman-4-amine (4R)-6-bromo-N-[(3S)-3-methyl-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) 1.67 3.5 -58.78 2 4 1 60 361.281 2 ↓
Hi High (pH 8-9.5) 1.67 2.52 -12.87 1 4 0 55 360.273 2 ↓

Analogs

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Popular Name: (4R)-6-bromo-N-[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]chroman-4-amine (4R)-6-bromo-N-[(3R)-3-methyl-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) 1.67 2.84 -57.77 2 4 1 60 361.281 2 ↓
Hi High (pH 8-9.5) 1.67 2.62 -13.28 1 4 0 55 360.273 2 ↓

Analogs

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Popular Name: (4S)-6-bromo-N-[(3S)-3-methyl-1,1-dioxo-thiolan-3-yl]chroman-4-amine (4S)-6-bromo-N-[(3S)-3-methyl-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) 1.67 3.63 -58.12 2 4 1 60 361.281 2 ↓
Hi High (pH 8-9.5) 1.67 2.78 -13.33 1 4 0 55 360.273 2 ↓

Analogs

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Popular Name: (4S)-6-bromo-N-[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]chroman-4-amine (4S)-6-bromo-N-[(3R)-3-methyl-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) 1.67 3.69 -57.27 2 4 1 60 361.281 2 ↓
Hi High (pH 8-9.5) 1.67 2.78 -13.82 1 4 0 55 360.273 2 ↓

Analogs

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Popular Name: (4R)-6-methoxy-N-[(3S)-3-methyl-1,1-dioxo-thiolan-3-yl]chroman-4-amine (4R)-6-methoxy-N-[(3S)-3-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) 0.92 2.15 -57.35 2 5 1 69 312.411 3 ↓
Hi High (pH 8-9.5) 0.92 1.18 -13.96 1 5 0 65 311.403 3 ↓

Analogs

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Popular Name: (4R)-6-methoxy-N-[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]chroman-4-amine (4R)-6-methoxy-N-[(3R)-3-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) 0.92 1.49 -56.29 2 5 1 69 312.411 3 ↓
Hi High (pH 8-9.5) 0.92 1.28 -14.64 1 5 0 65 311.403 3 ↓

Analogs

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Popular Name: (4S)-6-methoxy-N-[(3S)-3-methyl-1,1-dioxo-thiolan-3-yl]chroman-4-amine (4S)-6-methoxy-N-[(3S)-3-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) 0.92 2.3 -56.76 2 5 1 69 312.411 3 ↓
Hi High (pH 8-9.5) 0.92 1.45 -14.56 1 5 0 65 311.403 3 ↓

Analogs

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Popular Name: (4S)-6-methoxy-N-[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]chroman-4-amine (4S)-6-methoxy-N-[(3R)-3-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) 0.92 2.34 -55.93 2 5 1 69 312.411 3 ↓
Hi High (pH 8-9.5) 0.92 1.44 -15.09 1 5 0 65 311.403 3 ↓

Analogs

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Popular Name: (4R)-6,8-dichloro-N-[(3S)-3-methyl-1,1-dioxo-thiolan-3-yl]chroman-4-amine (4R)-6,8-dichloro-N-[(3S)-3-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) 2.14 3.94 -63.19 2 4 1 60 351.275 2 ↓
Hi High (pH 8-9.5) 2.14 2.97 -13.81 1 4 0 55 350.267 2 ↓

Analogs

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Popular Name: (4R)-6,8-dichloro-N-[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]chroman-4-amine (4R)-6,8-dichloro-N-[(3R)-3-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) 2.14 3.28 -62.7 2 4 1 60 351.275 2 ↓
Hi High (pH 8-9.5) 2.14 3.07 -13.89 1 4 0 55 350.267 2 ↓

Analogs

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Popular Name: (4S)-6,8-dichloro-N-[(3S)-3-methyl-1,1-dioxo-thiolan-3-yl]chroman-4-amine (4S)-6,8-dichloro-N-[(3S)-3-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) 2.14 4.1 -62.59 2 4 1 60 351.275 2 ↓
Hi High (pH 8-9.5) 2.14 3.23 -14.28 1 4 0 55 350.267 2 ↓

Analogs

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Popular Name: (4S)-6,8-dichloro-N-[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]chroman-4-amine (4S)-6,8-dichloro-N-[(3R)-3-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) 2.14 4.13 -61.61 2 4 1 60 351.275 2 ↓
Hi High (pH 8-9.5) 2.14 3.23 -14.62 1 4 0 55 350.267 2 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

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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 = 545233 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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