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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: (S)-(5-bromo-2-thienyl)-(2-methyl-3-furyl)methanamine (S)-(5-bromo-2-thienyl)-(2-methy…

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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) 2.90 4.85 -45.72 3 2 1 41 273.175 2 ↓
Mid Mid (pH 6-8) 2.90 4.52 -4.65 2 2 0 39 272.167 2 ↓

Analogs

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Popular Name: (R)-(5-bromo-2-thienyl)-(2-methyl-3-furyl)methanamine (R)-(5-bromo-2-thienyl)-(2-methy…

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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) 2.90 4.79 -45.87 3 2 1 41 273.175 2 ↓
Mid Mid (pH 6-8) 2.90 4.46 -4.6 2 2 0 39 272.167 2 ↓

Analogs

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Popular Name: (R)-(5-bromo-2-thienyl)-(3-furyl)methanamine (R)-(5-bromo-2-thienyl)-(3-furyl…

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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) 2.68 4.04 -45.81 3 2 1 41 259.148 2 ↓
Mid Mid (pH 6-8) 2.68 3.72 -3.93 2 2 0 39 258.14 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(5-bromo-2-thienyl)-(3-furyl)methanamine (S)-(5-bromo-2-thienyl)-(3-furyl…

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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) 2.68 4.04 -45.82 3 2 1 41 259.148 2 ↓
Mid Mid (pH 6-8) 2.68 3.71 -4.04 2 2 0 39 258.14 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(5-bromo-2-thienyl)-N-methyl-1-(2-methyl-3-furyl)methanamine (1S)-1-(5-bromo-2-thienyl)-N-met…

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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) 3.27 6.53 -39.94 2 2 1 30 287.202 3 ↓
Mid Mid (pH 6-8) 3.27 5.42 -4.3 1 2 0 25 286.194 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(5-bromo-2-thienyl)-N-methyl-1-(2-methyl-3-furyl)methanamine (1R)-1-(5-bromo-2-thienyl)-N-met…

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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) 3.27 6.63 -40.27 2 2 1 30 287.202 3 ↓
Mid Mid (pH 6-8) 3.27 5.32 -4.55 1 2 0 25 286.194 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(5-bromo-2-thienyl)-1-(3-furyl)-N-methyl-methanamine (1S)-1-(5-bromo-2-thienyl)-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) 3.05 5.78 -39.91 2 2 1 30 273.175 3 ↓
Mid Mid (pH 6-8) 3.05 4.49 -3.51 1 2 0 25 272.167 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(5-bromo-2-thienyl)-1-(3-furyl)-N-methyl-methanamine (1R)-1-(5-bromo-2-thienyl)-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) 3.05 5.83 -40.13 2 2 1 30 273.175 3 ↓
Mid Mid (pH 6-8) 3.05 4.52 -3.34 1 2 0 25 272.167 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(5-bromo-2-thienyl)-(2-methyl-3-furyl)methyl]ethanamine N-[(S)-(5-bromo-2-thienyl)-(2-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) 3.65 7.27 -37.94 2 2 1 30 301.229 4 ↓
Mid Mid (pH 6-8) 3.65 6.15 -4.31 1 2 0 25 300.221 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(5-bromo-2-thienyl)-(2-methyl-3-furyl)methyl]ethanamine N-[(R)-(5-bromo-2-thienyl)-(2-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) 3.65 7.32 -38.37 2 2 1 30 301.229 4 ↓
Mid Mid (pH 6-8) 3.65 6.31 -4.05 1 2 0 25 300.221 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(5-bromo-2-thienyl)-(3-furyl)methyl]ethanamine N-[(S)-(5-bromo-2-thienyl)-(3-fu…

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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) 3.43 6.63 -38.1 2 2 1 30 287.202 4 ↓
Mid Mid (pH 6-8) 3.43 5.43 -3.3 1 2 0 25 286.194 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(5-bromo-2-thienyl)-(3-furyl)methyl]ethanamine N-[(R)-(5-bromo-2-thienyl)-(3-fu…

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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) 3.43 6.68 -38.39 2 2 1 30 287.202 4 ↓
Mid Mid (pH 6-8) 3.43 5.46 -3.1 1 2 0 25 286.194 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(5-bromo-2-thienyl)-(2-methyl-3-furyl)methyl]propan-1-amine N-[(S)-(5-bromo-2-thienyl)-(2-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) 4.15 8.03 -38.55 2 2 1 30 315.256 5 ↓
Mid Mid (pH 6-8) 4.15 6.9 -4.14 1 2 0 25 314.248 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(5-bromo-2-thienyl)-(2-methyl-3-furyl)methyl]propan-1-amine N-[(R)-(5-bromo-2-thienyl)-(2-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) 4.15 8.08 -38.91 2 2 1 30 315.256 5 ↓
Mid Mid (pH 6-8) 4.15 7.07 -3.89 1 2 0 25 314.248 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(5-bromo-2-thienyl)-(3-furyl)methyl]propan-1-amine N-[(S)-(5-bromo-2-thienyl)-(3-fu…

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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) 3.93 7.39 -38.81 2 2 1 30 301.229 5 ↓
Mid Mid (pH 6-8) 3.93 6.21 -3.47 1 2 0 25 300.221 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(5-bromo-2-thienyl)-(3-furyl)methyl]propan-1-amine N-[(R)-(5-bromo-2-thienyl)-(3-fu…

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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) 3.93 7.39 -38.83 2 2 1 30 301.229 5 ↓
Mid Mid (pH 6-8) 3.93 6.23 -2.95 1 2 0 25 300.221 5 ↓

Analogs

35497937
35497937

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Popular Name: (1S)-1-(5-chloro-2-thienyl)-1-(3-furyl)-N-methyl-methanamine (1S)-1-(5-chloro-2-thienyl)-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) 2.92 5.67 -39.86 2 2 1 30 228.724 3 ↓
Mid Mid (pH 6-8) 2.92 4.39 -3.45 1 2 0 25 227.716 3 ↓

Analogs

35497935
35497935

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Popular Name: (1R)-1-(5-chloro-2-thienyl)-1-(3-furyl)-N-methyl-methanamine (1R)-1-(5-chloro-2-thienyl)-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) 2.92 5.73 -40 2 2 1 30 228.724 3 ↓
Mid Mid (pH 6-8) 2.92 4.42 -3.26 1 2 0 25 227.716 3 ↓

Analogs

35497956
35497956

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(5-chloro-2-thienyl)-1-(2,5-dimethyl-3-furyl)-N-methyl-methanamine (1S)-1-(5-chloro-2-thienyl)-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) 3.37 7.13 -39.98 2 2 1 30 256.778 3 ↓
Mid Mid (pH 6-8) 3.37 6.03 -4.55 1 2 0 25 255.77 3 ↓

Analogs

35497954
35497954

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Popular Name: (1R)-1-(5-chloro-2-thienyl)-1-(2,5-dimethyl-3-furyl)-N-methyl-methanamine (1R)-1-(5-chloro-2-thienyl)-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) 3.37 7.36 -40.59 2 2 1 30 256.778 3 ↓
Mid Mid (pH 6-8) 3.37 5.99 -4.66 1 2 0 25 255.77 3 ↓

Analogs

35497968
35497968

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(5-chloro-2-thienyl)-N-methyl-1-(2-methyl-3-furyl)methanamine (1S)-1-(5-chloro-2-thienyl)-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) 3.14 6.42 -39.88 2 2 1 30 242.751 3 ↓
Mid Mid (pH 6-8) 3.14 5.31 -4.32 1 2 0 25 241.743 3 ↓

Analogs

35497966
35497966

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Popular Name: (1R)-1-(5-chloro-2-thienyl)-N-methyl-1-(2-methyl-3-furyl)methanamine (1R)-1-(5-chloro-2-thienyl)-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) 3.14 6.54 -40.15 2 2 1 30 242.751 3 ↓
Mid Mid (pH 6-8) 3.14 5.22 -4.47 1 2 0 25 241.743 3 ↓

Parameters Provided:

ring.id = 12854
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 = 12854 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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