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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: (9R)-N-[(1S)-2-methyl-1-(2-thienyl)propyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-amine (9R)-N-[(1S)-2-methyl-1-(2-thien…

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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) 4.67 11.94 -29.23 2 1 1 17 300.491 4 ↓

Analogs

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Popular Name: (9R)-N-[(1R)-2-methyl-1-(2-thienyl)propyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-amine (9R)-N-[(1R)-2-methyl-1-(2-thien…

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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) 4.67 11.06 -28.46 2 1 1 17 300.491 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (9S)-N-[(1S)-2-methyl-1-(2-thienyl)propyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-amine (9S)-N-[(1S)-2-methyl-1-(2-thien…

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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) 4.67 11.08 -32.26 2 1 1 17 300.491 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (9S)-N-[(1R)-2-methyl-1-(2-thienyl)propyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-amine (9S)-N-[(1R)-2-methyl-1-(2-thien…

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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) 4.67 10.98 -32.84 2 1 1 17 300.491 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (9R)-N-[(1S)-1-(2-thienyl)propyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-amine (9R)-N-[(1S)-1-(2-thienyl)propyl…

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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) 4.42 11.45 -29.45 2 1 1 17 286.464 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (9R)-N-[(1R)-1-(2-thienyl)propyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-amine (9R)-N-[(1R)-1-(2-thienyl)propyl…

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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) 4.42 10.6 -28.46 2 1 1 17 286.464 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (9S)-N-[(1S)-1-(2-thienyl)propyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-amine (9S)-N-[(1S)-1-(2-thienyl)propyl…

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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) 4.42 10.62 -32.28 2 1 1 17 286.464 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (9S)-N-[(1R)-1-(2-thienyl)propyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-amine (9S)-N-[(1R)-1-(2-thienyl)propyl…

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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) 4.42 10.45 -33.88 2 1 1 17 286.464 4 ↓

Analogs

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Popular Name: [(5R)-5-(2-thienylmethylamino)-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl]methanol [(5R)-5-(2-thienylmethylamino)-6…

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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) 3.70 6.51 -30.87 3 2 1 37 288.436 4 ↓
Hi High (pH 8-9.5) 3.70 5.29 -4.37 2 2 0 32 287.428 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(5S)-5-(2-thienylmethylamino)-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl]methanol [(5S)-5-(2-thienylmethylamino)-6…

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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) 3.70 6.78 -29.66 3 2 1 37 288.436 4 ↓
Hi High (pH 8-9.5) 3.70 5.63 -4.62 2 2 0 32 287.428 4 ↓

Parameters Provided:

ring.id = 134033
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 = 134033 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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