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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)-N-[(1R)-1-(2,5-dimethyl-3-thienyl)ethyl]chroman-4-amine (4R)-N-[(1R)-1-(2,5-dimethyl-3-t…

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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 9.18 -40.7 2 2 1 26 288.436 3 ↓

Analogs

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Popular Name: (4R)-N-[(1S)-1-(2,5-dimethyl-3-thienyl)ethyl]chroman-4-amine (4R)-N-[(1S)-1-(2,5-dimethyl-3-t…

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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 8.57 -41.26 2 2 1 26 288.436 3 ↓

Analogs

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Popular Name: (4S)-N-[(1R)-1-(2,5-dimethyl-3-thienyl)ethyl]chroman-4-amine (4S)-N-[(1R)-1-(2,5-dimethyl-3-t…

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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 8.55 -41.07 2 2 1 26 288.436 3 ↓

Analogs

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Popular Name: (4S)-N-[(1S)-1-(2,5-dimethyl-3-thienyl)ethyl]chroman-4-amine (4S)-N-[(1S)-1-(2,5-dimethyl-3-t…

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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 9.24 -40.87 2 2 1 26 288.436 3 ↓

Analogs

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Popular Name: (4R)-6-bromo-N-[(1S)-1-(3-thienyl)ethyl]chroman-4-amine (4R)-6-bromo-N-[(1S)-1-(3-thieny…

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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) 3.25 7.55 -42.42 2 2 1 26 339.278 3 ↓
Mid Mid (pH 6-8) 3.25 7.01 -3.53 1 2 0 21 338.27 3 ↓

Analogs

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Popular Name: (4R)-6-bromo-N-[(1R)-1-(3-thienyl)ethyl]chroman-4-amine (4R)-6-bromo-N-[(1R)-1-(3-thieny…

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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) 3.25 8.17 -41.65 2 2 1 26 339.278 3 ↓
Mid Mid (pH 6-8) 3.25 7.2 -4.01 1 2 0 21 338.27 3 ↓

Analogs

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Popular Name: (4S)-6-bromo-N-[(1S)-1-(3-thienyl)ethyl]chroman-4-amine (4S)-6-bromo-N-[(1S)-1-(3-thieny…

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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) 3.25 8.19 -41.73 2 2 1 26 339.278 3 ↓
Mid Mid (pH 6-8) 3.25 7.35 -3.3 1 2 0 21 338.27 3 ↓

Analogs

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Popular Name: (4S)-6-bromo-N-[(1R)-1-(3-thienyl)ethyl]chroman-4-amine (4S)-6-bromo-N-[(1R)-1-(3-thieny…

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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) 3.25 7.55 -42.35 2 2 1 26 339.278 3 ↓
Mid Mid (pH 6-8) 3.25 7.35 -4.45 1 2 0 21 338.27 3 ↓

Analogs

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Popular Name: (4R)-6-methoxy-N-[(1S)-1-(3-thienyl)ethyl]chroman-4-amine (4R)-6-methoxy-N-[(1S)-1-(3-thie…

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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) 2.50 6.21 -41.19 2 3 1 35 290.408 4 ↓
Hi High (pH 8-9.5) 2.50 5.69 -5.19 1 3 0 30 289.4 4 ↓

Analogs

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Popular Name: (4R)-6-methoxy-N-[(1R)-1-(3-thienyl)ethyl]chroman-4-amine (4R)-6-methoxy-N-[(1R)-1-(3-thie…

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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) 2.50 6.83 -40.52 2 3 1 35 290.408 4 ↓
Hi High (pH 8-9.5) 2.50 5.86 -5.57 1 3 0 30 289.4 4 ↓

Analogs

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Popular Name: (4S)-6-methoxy-N-[(1S)-1-(3-thienyl)ethyl]chroman-4-amine (4S)-6-methoxy-N-[(1S)-1-(3-thie…

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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) 2.50 6.86 -40.58 2 3 1 35 290.408 4 ↓
Hi High (pH 8-9.5) 2.50 6.02 -4.95 1 3 0 30 289.4 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-6-methoxy-N-[(1R)-1-(3-thienyl)ethyl]chroman-4-amine (4S)-6-methoxy-N-[(1R)-1-(3-thie…

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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) 2.50 6.21 -41.2 2 3 1 35 290.408 4 ↓
Hi High (pH 8-9.5) 2.50 6.02 -6.18 1 3 0 30 289.4 4 ↓

Analogs

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Popular Name: (4R)-6,8-dichloro-N-[(1S)-1-(3-thienyl)ethyl]chroman-4-amine (4R)-6,8-dichloro-N-[(1S)-1-(3-t…

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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) 3.72 8 -46.8 2 2 1 26 329.272 3 ↓
Mid Mid (pH 6-8) 3.72 7.46 -3.78 1 2 0 21 328.264 3 ↓

Analogs

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Popular Name: (4R)-6,8-dichloro-N-[(1R)-1-(3-thienyl)ethyl]chroman-4-amine (4R)-6,8-dichloro-N-[(1R)-1-(3-t…

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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) 3.72 8.62 -45.91 2 2 1 26 329.272 3 ↓
Mid Mid (pH 6-8) 3.72 7.64 -4.56 1 2 0 21 328.264 3 ↓

Analogs

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Popular Name: (4S)-6,8-dichloro-N-[(1S)-1-(3-thienyl)ethyl]chroman-4-amine (4S)-6,8-dichloro-N-[(1S)-1-(3-t…

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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) 3.72 8.64 -46 2 2 1 26 329.272 3 ↓
Mid Mid (pH 6-8) 3.72 7.8 -3.66 1 2 0 21 328.264 3 ↓

Analogs

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Popular Name: (4S)-6,8-dichloro-N-[(1R)-1-(3-thienyl)ethyl]chroman-4-amine (4S)-6,8-dichloro-N-[(1R)-1-(3-t…

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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) 3.72 8 -46.82 2 2 1 26 329.272 3 ↓
Mid Mid (pH 6-8) 3.72 7.8 -4.76 1 2 0 21 328.264 3 ↓

Analogs

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Popular Name: (4S)-N-[(5-bromo-3-thienyl)methyl]-8-chloro-chroman-4-amine (4S)-N-[(5-bromo-3-thienyl)methy…

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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) 3.47 8.23 -51.98 2 2 1 26 359.696 3 ↓
Hi High (pH 8-9.5) 3.47 7.01 -5.67 1 2 0 21 358.688 3 ↓

Analogs

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Popular Name: (4R)-N-[(5-bromo-3-thienyl)methyl]-8-chloro-chroman-4-amine (4R)-N-[(5-bromo-3-thienyl)methy…

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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) 3.47 8.23 -52.92 2 2 1 26 359.696 3 ↓
Hi High (pH 8-9.5) 3.47 7.28 -5.41 1 2 0 21 358.688 3 ↓

Analogs

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Popular Name: (4R)-6-bromo-N-[(1R)-1-(2,5-dimethyl-3-thienyl)ethyl]chroman-4-amine (4R)-6-bromo-N-[(1R)-1-(2,5-dime…

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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) 3.69 9.8 -41.21 2 2 1 26 367.332 3 ↓
Hi High (pH 8-9.5) 3.69 8.9 -4.68 1 2 0 21 366.324 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-6-bromo-N-[(1S)-1-(2,5-dimethyl-3-thienyl)ethyl]chroman-4-amine (4R)-6-bromo-N-[(1S)-1-(2,5-dime…

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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) 3.69 9.19 -42.05 2 2 1 26 367.332 3 ↓
Hi High (pH 8-9.5) 3.69 8.9 -3.99 1 2 0 21 366.324 3 ↓

Analogs

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Popular Name: (4S)-6-bromo-N-[(1R)-1-(2,5-dimethyl-3-thienyl)ethyl]chroman-4-amine (4S)-6-bromo-N-[(1R)-1-(2,5-dime…

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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) 3.69 9.16 -41.69 2 2 1 26 367.332 3 ↓
Hi High (pH 8-9.5) 3.69 9.07 -5.04 1 2 0 21 366.324 3 ↓

Analogs

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Popular Name: (4S)-6-bromo-N-[(1S)-1-(2,5-dimethyl-3-thienyl)ethyl]chroman-4-amine (4S)-6-bromo-N-[(1S)-1-(2,5-dime…

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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) 3.69 9.85 -41.5 2 2 1 26 367.332 3 ↓
Hi High (pH 8-9.5) 3.69 9.05 -4.17 1 2 0 21 366.324 3 ↓

Parameters Provided:

ring.id = 134858
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 = 134858 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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