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

Analogs

42431889
42431889

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Popular Name: (S)-benzothiophen-2-yl-(2,5-dimethyl-3-thienyl)methanamine (S)-benzothiophen-2-yl-(2,5-dime…

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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) 4.14 8.21 -44.44 3 1 1 28 274.434 2 ↓
Mid Mid (pH 6-8) 4.14 7.88 -5.66 2 1 0 26 273.426 2 ↓

Analogs

42431888
42431888

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Popular Name: (R)-benzothiophen-2-yl-(2,5-dimethyl-3-thienyl)methanamine (R)-benzothiophen-2-yl-(2,5-dime…

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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) 4.14 8.34 -45.08 3 1 1 28 274.434 2 ↓
Mid Mid (pH 6-8) 4.14 8.01 -5.87 2 1 0 26 273.426 2 ↓

Analogs

42431893
42431893

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Popular Name: (R)-benzothiophen-2-yl-(2,5-dichloro-3-thienyl)methanamine (R)-benzothiophen-2-yl-(2,5-dich…

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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) 5.30 7.98 -44.36 3 1 1 28 315.27 2 ↓
Mid Mid (pH 6-8) 5.30 7.66 -4.06 2 1 0 26 314.262 2 ↓

Analogs

42431892
42431892

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Popular Name: (S)-benzothiophen-2-yl-(2,5-dichloro-3-thienyl)methanamine (S)-benzothiophen-2-yl-(2,5-dich…

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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) 5.30 7.95 -43.87 3 1 1 28 315.27 2 ↓
Mid Mid (pH 6-8) 5.30 7.63 -3.59 2 1 0 26 314.262 2 ↓

Analogs

42431895
42431895

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Popular Name: (R)-benzothiophen-2-yl-(2,5-dibromo-3-thienyl)methanamine (R)-benzothiophen-2-yl-(2,5-dibr…

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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) 5.56 8.13 -43.91 3 1 1 28 404.172 2 ↓
Mid Mid (pH 6-8) 5.56 7.81 -3.55 2 1 0 26 403.164 2 ↓

Analogs

42431894
42431894

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-benzothiophen-2-yl-(2,5-dibromo-3-thienyl)methanamine (S)-benzothiophen-2-yl-(2,5-dibr…

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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) 5.56 8.15 -43.48 3 1 1 28 404.172 2 ↓
Mid Mid (pH 6-8) 5.56 7.82 -4.01 2 1 0 26 403.164 2 ↓

Analogs

42432003
42432003

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-benzothiophen-2-yl-(2,5-dimethyl-3-thienyl)methanol (S)-benzothiophen-2-yl-(2,5-dime…

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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) 4.10 7.76 -6.43 1 1 0 20 274.41 2 ↓

Analogs

42432002
42432002

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-benzothiophen-2-yl-(2,5-dimethyl-3-thienyl)methanol (R)-benzothiophen-2-yl-(2,5-dime…

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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) 4.10 7.87 -6.45 1 1 0 20 274.41 2 ↓

Analogs

42432007
42432007

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-benzothiophen-2-yl-(2,5-dichloro-3-thienyl)methanol (R)-benzothiophen-2-yl-(2,5-dich…

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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) 5.26 7.51 -4.26 1 1 0 20 315.246 2 ↓

Analogs

42432006
42432006

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-benzothiophen-2-yl-(2,5-dichloro-3-thienyl)methanol (S)-benzothiophen-2-yl-(2,5-dich…

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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) 5.26 7.5 -4.28 1 1 0 20 315.246 2 ↓

Analogs

42432009
42432009

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-benzothiophen-2-yl-(2,5-dibromo-3-thienyl)methanol (R)-benzothiophen-2-yl-(2,5-dibr…

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) 5.52 7.71 -4.31 1 1 0 20 404.148 2 ↓

Analogs

42432008
42432008

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-benzothiophen-2-yl-(2,5-dibromo-3-thienyl)methanol (S)-benzothiophen-2-yl-(2,5-dibr…

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) 5.52 7.67 -4.27 1 1 0 20 404.148 2 ↓

Parameters Provided:

ring.id = 617255
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 = 617255 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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