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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: (2S)-2-phenyl-2-[[(9R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-yl]amino]ethanol (2S)-2-phenyl-2-[[(9R)-6,7,8,9-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) 3.01 8.59 -33.45 3 2 1 37 282.407 4 ↓
Hi High (pH 8-9.5) 3.01 8.49 -3.58 2 2 0 32 281.399 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-phenyl-2-[[(9R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-yl]amino]ethanol (2R)-2-phenyl-2-[[(9R)-6,7,8,9-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) 3.01 7.71 -31.01 3 2 1 37 282.407 4 ↓
Hi High (pH 8-9.5) 3.01 8.25 -3.32 2 2 0 32 281.399 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-phenyl-2-[[(9S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-yl]amino]ethanol (2S)-2-phenyl-2-[[(9S)-6,7,8,9-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) 3.01 7.67 -34.74 3 2 1 37 282.407 4 ↓
Hi High (pH 8-9.5) 3.01 7.39 -4.19 2 2 0 32 281.399 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-phenyl-2-[[(9S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-yl]amino]ethanol (2R)-2-phenyl-2-[[(9S)-6,7,8,9-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) 3.01 8.04 -36.95 3 2 1 37 282.407 4 ↓
Hi High (pH 8-9.5) 3.01 7.12 -3.41 2 2 0 32 281.399 4 ↓

Analogs

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Popular Name: (9R)-N-(o-tolylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-amine (9R)-N-(o-tolylmethyl)-6,7,8,9-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) 3.86 11.67 -35.55 2 1 1 17 266.408 3 ↓
Hi High (pH 8-9.5) 3.86 11.41 -2.1 1 1 0 12 265.4 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (9S)-N-(o-tolylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-amine (9S)-N-(o-tolylmethyl)-6,7,8,9-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) 3.86 10.83 -38.15 2 1 1 17 266.408 3 ↓
Hi High (pH 8-9.5) 3.86 10.23 -3.06 1 1 0 12 265.4 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-N-[(3,4-difluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (5S)-N-[(3,4-difluorophenyl)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) 3.72 11.16 -47.51 2 1 1 17 288.361 3 ↓
Hi High (pH 8-9.5) 3.72 10.9 -5.15 1 1 0 12 287.353 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-N-[(3,4-difluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (5R)-N-[(3,4-difluorophenyl)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) 3.72 10.3 -50.34 2 1 1 17 288.361 3 ↓
Hi High (pH 8-9.5) 3.72 9.72 -5.76 1 1 0 12 287.353 3 ↓

Parameters Provided:

ring.id = 330594
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 = 330594 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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