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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: (1R)-N-methyl-1-(1-methylpyrazol-4-yl)-1-(3-methyl-2-thienyl)methanamine (1R)-N-methyl-1-(1-methylpyrazol…

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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) 1.93 5.45 -39.56 2 3 1 34 222.337 3 ↓
Mid Mid (pH 6-8) 1.93 4.12 -7.09 1 3 0 30 221.329 3 ↓

Analogs

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Popular Name: (1S)-N-methyl-1-(1-methylpyrazol-4-yl)-1-(3-methyl-2-thienyl)methanamine (1S)-N-methyl-1-(1-methylpyrazol…

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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) 1.93 5.32 -39.57 2 3 1 34 222.337 3 ↓
Mid Mid (pH 6-8) 1.93 4.13 -7.03 1 3 0 30 221.329 3 ↓

Analogs

43469030
43469030
43469031
43469031

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-methyl-1-(1-methylpyrazol-4-yl)-1-(5-methyl-2-thienyl)methanamine (1R)-N-methyl-1-(1-methylpyrazol…

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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) 1.77 5.72 -39.83 2 3 1 34 222.337 3 ↓
Mid Mid (pH 6-8) 1.77 4.41 -7.04 1 3 0 30 221.329 3 ↓

Analogs

43469022
43469022
43469024
43469024
43469030
43469030
43469031
43469031

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-methyl-1-(1-methylpyrazol-4-yl)-1-(5-methyl-2-thienyl)methanamine (1S)-N-methyl-1-(1-methylpyrazol…

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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) 1.77 5.63 -39.7 2 3 1 34 222.337 3 ↓
Mid Mid (pH 6-8) 1.77 4.42 -6.96 1 3 0 30 221.329 3 ↓

Analogs

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Popular Name: (1R)-1-(5-bromo-2-thienyl)-N-methyl-1-(1-methylpyrazol-4-yl)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) 2.48 5.62 -43.62 2 3 1 34 287.206 3 ↓
Mid Mid (pH 6-8) 2.48 4.32 -6.8 1 3 0 30 286.198 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(5-bromo-2-thienyl)-N-methyl-1-(1-methylpyrazol-4-yl)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) 2.48 5.53 -43.4 2 3 1 34 287.206 3 ↓
Mid Mid (pH 6-8) 2.48 4.3 -6.88 1 3 0 30 286.198 3 ↓

Analogs

43469022
43469022
43469024
43469024
43469026
43469026
43469028
43469028
43469030
43469030

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-methyl-1-(1-methylpyrazol-4-yl)-1-(2-thienyl)methanamine (1R)-N-methyl-1-(1-methylpyrazol…

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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) 1.55 4.89 -39.94 2 3 1 34 208.31 3 ↓
Mid Mid (pH 6-8) 1.55 3.59 -6.73 1 3 0 30 207.302 3 ↓

Analogs

43469022
43469022
43469024
43469024
43469026
43469026
43469028
43469028
43469030
43469030

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-methyl-1-(1-methylpyrazol-4-yl)-1-(2-thienyl)methanamine (1S)-N-methyl-1-(1-methylpyrazol…

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) 1.55 4.8 -39.79 2 3 1 34 208.31 3 ↓
Mid Mid (pH 6-8) 1.55 3.57 -6.79 1 3 0 30 207.302 3 ↓

Analogs

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Popular Name: 4-(2-thienylmethyl)-1H-pyrazole-3,5-diamine 4-(2-thienylmethyl)-1H-pyrazole-…

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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) 1.32 2.43 -30.06 6 4 1 82 195.271 2 ↓
Mid Mid (pH 6-8) 1.32 2.27 -7.38 5 4 0 81 194.263 2 ↓

Analogs

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Popular Name: (S)-(5-ethyl-2-thienyl)-(1-propylpyrazol-4-yl)methanol (S)-(5-ethyl-2-thienyl)-(1-propy…

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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) 2.81 5.83 -7.3 1 3 0 38 250.367 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(5-ethyl-2-thienyl)-(1-propylpyrazol-4-yl)methanol (R)-(5-ethyl-2-thienyl)-(1-propy…

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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) 2.81 5.83 -7.31 1 3 0 38 250.367 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(3-methyl-2-thienyl)-1-(1-propylpyrazol-4-yl)ethanol (1S)-1-(3-methyl-2-thienyl)-1-(1…

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) 2.21 4.83 -6.03 1 3 0 38 250.367 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(3-methyl-2-thienyl)-1-(1-propylpyrazol-4-yl)ethanol (1R)-1-(3-methyl-2-thienyl)-1-(1…

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) 2.21 5.44 -6.45 1 3 0 38 250.367 4 ↓

Parameters Provided:

ring.id = 18018
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 = 18018 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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