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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35497871
35497871
42890852
42890852
42890857
42890857

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2,5-dimethyl-3-thienyl)-N-methyl-1-(1-naphthyl)methanamine (1R)-1-(2,5-dimethyl-3-thienyl)-…

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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) 4.47 10.38 -37.67 2 1 1 17 282.432 3 ↓
Hi High (pH 8-9.5) 4.47 8.59 -3.98 1 1 0 12 281.424 3 ↓

Analogs

42890852
42890852
42890857
42890857
35497870
35497870

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2,5-dimethyl-3-thienyl)-N-methyl-1-(1-naphthyl)methanamine (1S)-1-(2,5-dimethyl-3-thienyl)-…

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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) 4.47 10.38 -40.19 2 1 1 17 282.432 3 ↓
Hi High (pH 8-9.5) 4.47 8.64 -3.42 1 1 0 12 281.424 3 ↓

Analogs

35502392
35502392

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2,5-dichloro-3-thienyl)-N-methyl-1-(1-naphthyl)methanamine (1S)-1-(2,5-dichloro-3-thienyl)-…

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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) 5.63 10.1 -40.58 2 1 1 17 323.268 3 ↓
Hi High (pH 8-9.5) 5.63 9.08 -2.55 1 1 0 12 322.26 3 ↓

Analogs

35502389
35502389

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2,5-dichloro-3-thienyl)-N-methyl-1-(1-naphthyl)methanamine (1R)-1-(2,5-dichloro-3-thienyl)-…

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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) 5.63 9.99 -38.03 2 1 1 17 323.268 3 ↓
Hi High (pH 8-9.5) 5.63 8.79 -2.97 1 1 0 12 322.26 3 ↓

Analogs

35503170
35503170

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Popular Name: (1S)-1-(2,5-dibromo-3-thienyl)-N-methyl-1-(1-naphthyl)methanamine (1S)-1-(2,5-dibromo-3-thienyl)-N…

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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) 5.89 10.29 -40.04 2 1 1 17 412.17 3 ↓
Hi High (pH 8-9.5) 5.89 9.29 -2.53 1 1 0 12 411.162 3 ↓

Analogs

35503168
35503168

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2,5-dibromo-3-thienyl)-N-methyl-1-(1-naphthyl)methanamine (1R)-1-(2,5-dibromo-3-thienyl)-N…

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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) 5.89 10.19 -37.65 2 1 1 17 412.17 3 ↓
Hi High (pH 8-9.5) 5.89 8.99 -2.92 1 1 0 12 411.162 3 ↓

Analogs

42890735
42890735
42890739
42890739

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(2,5-dichloro-3-thienyl)-(1-naphthyl)methanamine (S)-(2,5-dichloro-3-thienyl)-(1-…

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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) 5.25 8.32 -44.22 3 1 1 28 309.241 2 ↓
Hi High (pH 8-9.5) 5.25 7.96 -3.24 2 1 0 26 308.233 2 ↓

Analogs

42890735
42890735
42890739
42890739

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(2,5-dichloro-3-thienyl)-(1-naphthyl)methanamine (R)-(2,5-dichloro-3-thienyl)-(1-…

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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) 5.25 8.32 -44.26 3 1 1 28 309.241 2 ↓
Hi High (pH 8-9.5) 5.25 7.98 -2.92 2 1 0 26 308.233 2 ↓

Analogs

42890743
42890743
42890747
42890747

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(2,5-dibromo-3-thienyl)-(1-naphthyl)methanamine (S)-(2,5-dibromo-3-thienyl)-(1-n…

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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) 5.51 8.52 -43.79 3 1 1 28 398.143 2 ↓
Hi High (pH 8-9.5) 5.51 8.19 -2.98 2 1 0 26 397.135 2 ↓

Analogs

42890743
42890743
42890747
42890747

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(2,5-dibromo-3-thienyl)-(1-naphthyl)methanamine (R)-(2,5-dibromo-3-thienyl)-(1-n…

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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) 5.51 8.53 -43.85 3 1 1 28 398.143 2 ↓
Hi High (pH 8-9.5) 5.51 8.15 -3.13 2 1 0 26 397.135 2 ↓

Parameters Provided:

ring.id = 17523
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 = 17523 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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