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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: 1-(1-methyltriazol-4-yl)-N-(2-thienylmethyl)methanamine 1-(1-methyltriazol-4-yl)-N-(2-th…

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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) 0.95 3.88 -45.71 2 4 1 47 209.298 4 ↓
Hi High (pH 8-9.5) 0.95 2.52 -11.21 1 4 0 43 208.29 4 ↓

Analogs

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Popular Name: (1S)-N-[(1-methyltriazol-4-yl)methyl]-1-(2-thienyl)ethanamine (1S)-N-[(1-methyltriazol-4-yl)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) 1.51 4.4 -42.56 2 4 1 47 223.325 4 ↓
Hi High (pH 8-9.5) 1.51 3.18 -9.9 1 4 0 43 222.317 4 ↓

Analogs

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Popular Name: (1R)-N-[(1-methyltriazol-4-yl)methyl]-1-(2-thienyl)ethanamine (1R)-N-[(1-methyltriazol-4-yl)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) 1.51 4.39 -43.36 2 4 1 47 223.325 4 ↓
Hi High (pH 8-9.5) 1.51 3.21 -9.77 1 4 0 43 222.317 4 ↓

Analogs

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Popular Name: (1S)-1-(5-chloro-2-thienyl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine (1S)-1-(5-chloro-2-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) 2.31 5.03 -46.1 2 4 1 47 257.77 4 ↓
Mid Mid (pH 6-8) 2.31 3.81 -9.74 1 4 0 43 256.762 4 ↓

Analogs

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Popular Name: (1R)-1-(5-chloro-2-thienyl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine (1R)-1-(5-chloro-2-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) 2.31 5.03 -47.16 2 4 1 47 257.77 4 ↓
Mid Mid (pH 6-8) 2.31 3.83 -9.84 1 4 0 43 256.762 4 ↓

Analogs

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Popular Name: (1S)-2-methyl-N-[(1-methyltriazol-4-yl)methyl]-1-(2-thienyl)propan-1-amine (1S)-2-methyl-N-[(1-methyltriazo…

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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) 2.25 5.52 -42.29 2 4 1 47 251.379 5 ↓
Hi High (pH 8-9.5) 2.25 4.59 -9.41 1 4 0 43 250.371 5 ↓

Analogs

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Popular Name: (1R)-2-methyl-N-[(1-methyltriazol-4-yl)methyl]-1-(2-thienyl)propan-1-amine (1R)-2-methyl-N-[(1-methyltriazo…

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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) 2.25 5.72 -37.77 2 4 1 47 251.379 5 ↓
Hi High (pH 8-9.5) 2.25 4.38 -9.42 1 4 0 43 250.371 5 ↓

Analogs

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Popular Name: methyl methyl

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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) 0.96 4.09 -11.9 1 6 0 69 280.353 7 ↓
Mid Mid (pH 6-8) 0.96 5.3 -38.5 2 6 1 74 281.361 7 ↓

Analogs

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Popular Name: methyl methyl

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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) 0.96 4.31 -14.4 1 6 0 69 280.353 7 ↓
Mid Mid (pH 6-8) 0.96 5.29 -38.9 2 6 1 74 281.361 7 ↓

Analogs

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Popular Name: (3S)-3-[(1-methyltriazol-4-yl)methylamino]-3-(2-thienyl)propanoic (3S)-3-[(1-methyltriazol-4-yl)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) 0.65 5.19 -34.1 2 6 0 87 266.326 6 ↓
Hi High (pH 8-9.5) 0.65 3.69 -51.47 1 6 -1 83 265.318 6 ↓

Analogs

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Popular Name: (3R)-3-[(1-methyltriazol-4-yl)methylamino]-3-(2-thienyl)propanoic (3R)-3-[(1-methyltriazol-4-yl)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) 0.65 5.18 -40.65 2 6 0 87 266.326 6 ↓
Hi High (pH 8-9.5) 0.65 3.65 -53.09 1 6 -1 83 265.318 6 ↓

Analogs

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Popular Name: N-[(5-bromo-2-thienyl)methyl]-1-(1-methyltriazol-4-yl)methanamine N-[(5-bromo-2-thienyl)methyl]-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) 1.88 4.61 -49.89 2 4 1 47 288.194 4 ↓
Mid Mid (pH 6-8) 1.88 3.25 -10.85 1 4 0 43 287.186 4 ↓

Analogs

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Popular Name: (1R)-1-(5-methyl-2-thienyl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine (1R)-1-(5-methyl-2-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) 1.73 5.24 -43.28 2 4 1 47 237.352 4 ↓
Hi High (pH 8-9.5) 1.73 4.04 -10.04 1 4 0 43 236.344 4 ↓

Analogs

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Popular Name: (1S)-1-(5-methyl-2-thienyl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine (1S)-1-(5-methyl-2-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) 1.73 5.22 -42.44 2 4 1 47 237.352 4 ↓
Hi High (pH 8-9.5) 1.73 4.01 -10.18 1 4 0 43 236.344 4 ↓

Analogs

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Popular Name: (1S)-N-[(1-methyltriazol-4-yl)methyl]-1-(2-thienyl)propan-1-amine (1S)-N-[(1-methyltriazol-4-yl)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) 2.01 5.25 -42.29 2 4 1 47 237.352 5 ↓
Hi High (pH 8-9.5) 2.01 3.82 -9.64 1 4 0 43 236.344 5 ↓

Analogs

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Popular Name: (1R)-N-[(1-methyltriazol-4-yl)methyl]-1-(2-thienyl)propan-1-amine (1R)-N-[(1-methyltriazol-4-yl)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) 2.01 5.24 -37.96 2 4 1 47 237.352 5 ↓
Hi High (pH 8-9.5) 2.01 3.85 -9.64 1 4 0 43 236.344 5 ↓

Analogs

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Popular Name: (1S)-N-[(1-methyltriazol-4-yl)methyl]-1-(2-thienyl)butan-1-amine (1S)-N-[(1-methyltriazol-4-yl)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) 2.57 6.01 -43.4 2 4 1 47 251.379 6 ↓
Hi High (pH 8-9.5) 2.57 4.6 -9.54 1 4 0 43 250.371 6 ↓

Analogs

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Popular Name: (1R)-N-[(1-methyltriazol-4-yl)methyl]-1-(2-thienyl)butan-1-amine (1R)-N-[(1-methyltriazol-4-yl)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) 2.57 6.01 -38.8 2 4 1 47 251.379 6 ↓
Hi High (pH 8-9.5) 2.57 4.63 -9.53 1 4 0 43 250.371 6 ↓

Analogs

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Popular Name: 1-(5-methyl-2-thienyl)-N-[(1-methyltriazol-4-yl)methyl]methanamine 1-(5-methyl-2-thienyl)-N-[(1-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) 1.17 4.71 -45.63 2 4 1 47 223.325 4 ↓
Hi High (pH 8-9.5) 1.17 3.35 -10 1 4 0 43 222.317 4 ↓

Parameters Provided:

ring.id = 157273
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 = 157273 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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