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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(8R,9S)-9-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-8-yl]-N,N-dimethyl-pyrrolidin-3-amine (3R)-1-[(8R,9S)-9-amino-6,7,8,9-…

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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) 0.37 5.93 -34.63 3 3 1 34 274.432 2 ↓
Hi High (pH 8-9.5) 0.37 3.53 -2.18 2 3 0 32 273.424 2 ↓
Mid Mid (pH 6-8) 0.37 5.94 -90.3 4 3 2 35 275.44 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(8R,9S)-9-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-8-yl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[(8R,9S)-9-amino-6,7,8,9-…

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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) 0.37 5.95 -34.85 3 3 1 34 274.432 2 ↓
Hi High (pH 8-9.5) 0.37 3.55 -2.05 2 3 0 32 273.424 2 ↓
Mid Mid (pH 6-8) 0.37 5.96 -90.87 4 3 2 35 275.44 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N,N-dimethyl-1-[(5R,6S)-5-(methylamino)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]pyrrolidin-3 (3S)-N,N-dimethyl-1-[(5R,6S)-5-(…

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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) 2.63 8.71 -85.67 3 3 2 24 289.467 3 ↓
Hi High (pH 8-9.5) 2.63 7.57 -36.25 2 3 1 20 288.459 3 ↓
Hi High (pH 8-9.5) 2.63 5.06 -2.04 1 3 0 19 287.451 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N,N-dimethyl-1-[(5S,6S)-5-(methylamino)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]pyrrolidin-3 (3S)-N,N-dimethyl-1-[(5S,6S)-5-(…

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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) 2.63 8.06 -92.5 3 3 2 24 289.467 3 ↓
Hi High (pH 8-9.5) 2.63 7.93 -31.28 2 3 1 20 288.459 3 ↓
Hi High (pH 8-9.5) 2.63 4.34 -2.25 1 3 0 19 287.451 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N,N-dimethyl-1-[(5R,6R)-5-(methylamino)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]pyrrolidin-3 (3S)-N,N-dimethyl-1-[(5R,6R)-5-(…

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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) 2.63 8.04 -99.44 3 3 2 24 289.467 3 ↓
Hi High (pH 8-9.5) 2.63 6.68 -32.47 2 3 1 20 288.459 3 ↓
Hi High (pH 8-9.5) 2.63 5.2 -2.07 1 3 0 19 287.451 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N,N-dimethyl-1-[(5S,6R)-5-(methylamino)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]pyrrolidin-3 (3S)-N,N-dimethyl-1-[(5S,6R)-5-(…

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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) 2.63 7.19 -89.68 3 3 2 24 289.467 3 ↓
Hi High (pH 8-9.5) 2.63 7.67 -31.33 2 3 1 20 288.459 3 ↓
Hi High (pH 8-9.5) 2.63 5.93 -1.8 1 3 0 19 287.451 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8R,9S)-8-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-ol (8R,9S)-8-[(3R)-3-(dimethylamino…

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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) 2.07 5.48 -33.43 2 3 1 28 275.416 2 ↓
Mid Mid (pH 6-8) 2.07 5.47 -36.35 2 3 1 28 275.416 2 ↓
Lo Low (pH 4.5-6) 2.07 7.9 -110.26 3 3 2 29 276.424 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8R,9S)-8-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-ol (8R,9S)-8-[(3S)-3-(dimethylamino…

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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) 2.07 5.45 -34.15 2 3 1 28 275.416 2 ↓
Mid Mid (pH 6-8) 2.07 5.49 -35.37 2 3 1 28 275.416 2 ↓
Lo Low (pH 4.5-6) 2.07 7.83 -107.32 3 3 2 29 276.424 2 ↓

Parameters Provided:

ring.id = 321813
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 = 321813 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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