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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: 2-bromo-6-methoxy-4-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ylmethyl)phenol 2-bromo-6-methoxy-4-(1,3,4,9-tet…

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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) 3.88 5.92 -10.39 2 4 0 48 387.277 3 ↓
Hi High (pH 8-9.5) 3.88 6.68 -47.27 1 4 -1 51 386.269 3 ↓
Mid Mid (pH 6-8) 3.88 8.27 -52.27 3 4 1 50 388.285 3 ↓

Analogs

39227795
39227795
39227867
39227867
39228780
39228780
39228817
39228817
39230586
39230586

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Popular Name: 2-methoxy-5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ylmethyl)phenol 2-methoxy-5-(1,3,4,9-tetrahydrop…

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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 7.45 -52.64 3 4 1 50 309.389 3 ↓
Mid Mid (pH 6-8) 2.91 5.1 -12.52 2 4 0 48 308.381 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ylmethyl)phenol 4-(1,3,4,9-tetrahydropyrido[3,4-…

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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) 3.09 5.11 -10.01 2 3 0 39 278.355 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-4-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ylmethyl)phenol 2-methoxy-4-(1,3,4,9-tetrahydrop…

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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 7.61 -51.37 3 4 1 50 309.389 3 ↓
Mid Mid (pH 6-8) 2.91 5.31 -12.89 2 4 0 48 308.381 3 ↓

Analogs

5357428
5357428

Draw Identity 99% 90% 80% 70%

Popular Name: 2,6-dimethoxy-4-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ylmethyl)phenol 2,6-dimethoxy-4-(1,3,4,9-tetrahy…

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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) 2.93 7.65 -53.92 3 5 1 59 339.415 4 ↓
Mid Mid (pH 6-8) 2.93 5.35 -13.28 2 5 0 58 338.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ylmethyl)phenol 3-(1,3,4,9-tetrahydropyrido[3,4-…

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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) 3.07 5.09 -10.21 2 3 0 39 278.355 2 ↓
Mid Mid (pH 6-8) 3.07 7.44 -49.35 3 3 1 40 279.363 2 ↓

Analogs

39228779
39228779

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-chlorophenyl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole 2-[(4-chlorophenyl)methyl]-1,3,4…

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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) 4.25 8.49 -6.89 1 2 0 19 296.801 2 ↓

Parameters Provided:

ring.id = 126898
filter.purchasability = annotated
page.format = targets
page.num = 1
rolex-org.lang = pt-BR

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 = 126898 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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