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

Analogs

35499443
35499443

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Popular Name: (1S)-1-(benzothiophen-3-yl)-1-(3-furyl)-N-methyl-methanamine (1S)-1-(benzothiophen-3-yl)-1-(3…

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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) 3.12 7.43 -44.33 2 2 1 30 244.339 3 ↓
Hi High (pH 8-9.5) 3.12 6.34 -5.24 1 2 0 25 243.331 3 ↓

Analogs

35499441
35499441

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Popular Name: (1R)-1-(benzothiophen-3-yl)-1-(3-furyl)-N-methyl-methanamine (1R)-1-(benzothiophen-3-yl)-1-(3…

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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) 3.12 7.32 -43.94 2 2 1 30 244.339 3 ↓
Hi High (pH 8-9.5) 3.12 6.28 -5.36 1 2 0 25 243.331 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(benzothiophen-3-yl)-1-(2,5-dimethyl-3-furyl)-N-methyl-methanamine (1S)-1-(benzothiophen-3-yl)-1-(2…

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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) 3.56 8.66 -39.37 2 2 1 30 272.393 3 ↓
Hi High (pH 8-9.5) 3.56 6.69 -5.32 1 2 0 25 271.385 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(benzothiophen-3-yl)-1-(2,5-dimethyl-3-furyl)-N-methyl-methanamine (1R)-1-(benzothiophen-3-yl)-1-(2…

Find On: PubMed — Wikipedia — Google

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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) 3.56 8.63 -42.84 2 2 1 30 272.393 3 ↓
Hi High (pH 8-9.5) 3.56 7.39 -5.2 1 2 0 25 271.385 3 ↓

Analogs

35499474
35499474

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Popular Name: (1S)-1-(benzothiophen-3-yl)-N-methyl-1-(2-methyl-3-furyl)methanamine (1S)-1-(benzothiophen-3-yl)-N-me…

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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) 3.34 7.83 -39.44 2 2 1 30 258.366 3 ↓
Hi High (pH 8-9.5) 3.34 5.94 -5.24 1 2 0 25 257.358 3 ↓

Analogs

35499472
35499472

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(benzothiophen-3-yl)-N-methyl-1-(2-methyl-3-furyl)methanamine (1R)-1-(benzothiophen-3-yl)-N-me…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.34 7.98 -41.94 2 2 1 30 258.366 3 ↓
Hi High (pH 8-9.5) 3.34 5.93 -5.62 1 2 0 25 257.358 3 ↓

Parameters Provided:

ring.id = 17921
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 = 17921 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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