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Analogs

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Popular Name: 4-chloro-N-[(1S)-1-(2-fluorophenyl)ethyl]-N-methyl-1,2,5-thiadiazol-3-amine 4-chloro-N-[(1S)-1-(2-fluorophen…

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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) 3.63 6.32 -6.87 0 3 0 29 271.748 3 ↓

Analogs

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Popular Name: 4-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-methyl-1,2,5-thiadiazol-3-amine 4-chloro-N-[(1R)-1-(2-fluorophen…

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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) 3.63 6.52 -5.99 0 3 0 29 271.748 3 ↓

Analogs

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Popular Name: (2S)-2-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]-2-phenyl-ethanol (2S)-2-[(4-chloro-1,2,5-thiadiaz…

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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) 2.26 2.02 -4.15 2 4 0 58 255.73 4 ↓

Analogs

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Popular Name: (2R)-2-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]-2-phenyl-ethanol (2R)-2-[(4-chloro-1,2,5-thiadiaz…

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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) 2.26 2.02 -4.15 2 4 0 58 255.73 4 ↓

Analogs

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Popular Name: 4-chloro-N-[(3-chlorophenyl)methyl]-1,2,5-thiadiazol-3-amine 4-chloro-N-[(3-chlorophenyl)meth…

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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 4.87 -3.45 1 3 0 38 260.149 3 ↓

Analogs

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Popular Name: 4-chloro-N-(o-tolylmethyl)-1,2,5-thiadiazol-3-amine 4-chloro-N-(o-tolylmethyl)-1,2,5…

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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) 3.11 5.09 -2.83 1 3 0 38 239.731 3 ↓

Analogs

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Popular Name: N-[(1S)-1-(4-bromophenyl)ethyl]-4-chloro-1,2,5-thiadiazol-3-amine N-[(1S)-1-(4-bromophenyl)ethyl]-…

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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) 4.08 5.82 -3.36 1 3 0 38 318.627 3 ↓

Analogs

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Popular Name: N-[(1R)-1-(4-bromophenyl)ethyl]-4-chloro-1,2,5-thiadiazol-3-amine N-[(1R)-1-(4-bromophenyl)ethyl]-…

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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) 4.08 5.82 -3.35 1 3 0 38 318.627 3 ↓

Analogs

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Popular Name: 4-chloro-N-[(1S)-1-(2-fluorophenyl)ethyl]-1,2,5-thiadiazol-3-amine 4-chloro-N-[(1S)-1-(2-fluorophen…

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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) 3.39 5.26 -4.67 1 3 0 38 257.721 3 ↓

Analogs

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Popular Name: 4-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]-1,2,5-thiadiazol-3-amine 4-chloro-N-[(1R)-1-(2-fluorophen…

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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) 3.39 5.27 -4.65 1 3 0 38 257.721 3 ↓

Analogs

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Popular Name: 4-chloro-N-[(1S)-1-(3-fluorophenyl)ethyl]-1,2,5-thiadiazol-3-amine 4-chloro-N-[(1S)-1-(3-fluorophen…

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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) 3.41 5.26 -4.28 1 3 0 38 257.721 3 ↓

Analogs

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Popular Name: 4-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]-1,2,5-thiadiazol-3-amine 4-chloro-N-[(1R)-1-(3-fluorophen…

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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) 3.41 5.26 -4.27 1 3 0 38 257.721 3 ↓

Analogs

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Popular Name: 4-chloro-N-[(1R)-1-(p-tolyl)ethyl]-1,2,5-thiadiazol-3-amine 4-chloro-N-[(1R)-1-(p-tolyl)ethy…

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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) 3.72 5.87 -3.09 1 3 0 38 253.758 3 ↓

Analogs

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Popular Name: 4-chloro-N-[(1S)-1-(p-tolyl)ethyl]-1,2,5-thiadiazol-3-amine 4-chloro-N-[(1S)-1-(p-tolyl)ethy…

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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) 3.72 5.87 -3.13 1 3 0 38 253.758 3 ↓

Analogs

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Popular Name: N-[(1S)-1-(3-bromophenyl)ethyl]-4-chloro-1,2,5-thiadiazol-3-amine N-[(1S)-1-(3-bromophenyl)ethyl]-…

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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) 4.06 5.81 -3.67 1 3 0 38 318.627 3 ↓

Analogs

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Popular Name: N-[(1R)-1-(3-bromophenyl)ethyl]-4-chloro-1,2,5-thiadiazol-3-amine N-[(1R)-1-(3-bromophenyl)ethyl]-…

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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) 4.06 5.81 -3.67 1 3 0 38 318.627 3 ↓

Analogs

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Popular Name: 4-chloro-N-[(3,4-difluorophenyl)methyl]-1,2,5-thiadiazol-3-amine 4-chloro-N-[(3,4-difluorophenyl)…

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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) 2.97 4.48 -5.64 1 3 0 38 261.684 3 ↓

Analogs

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Popular Name: N-[(3-bromophenyl)methyl]-4-chloro-1,2,5-thiadiazol-3-amine N-[(3-bromophenyl)methyl]-4-chlo…

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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) 3.50 4.97 -3.4 1 3 0 38 304.6 3 ↓

Analogs

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Popular Name: N-[(2-bromophenyl)methyl]-4-chloro-1,2,5-thiadiazol-3-amine N-[(2-bromophenyl)methyl]-4-chlo…

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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) 3.47 4.87 -3.6 1 3 0 38 304.6 3 ↓

Analogs

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Popular Name: 4-chloro-N-methyl-N-(m-tolylmethyl)-1,2,5-thiadiazol-3-amine 4-chloro-N-methyl-N-(m-tolylmeth…

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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) 3.38 6.85 -4.06 0 3 0 29 253.758 3 ↓

Analogs

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Popular Name: 4-chloro-N-[(4-chlorophenyl)methyl]-N-methyl-1,2,5-thiadiazol-3-amine 4-chloro-N-[(4-chlorophenyl)meth…

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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) 3.63 6.71 -4.46 0 3 0 29 274.176 3 ↓

Analogs

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Popular Name: N-[(4-bromophenyl)methyl]-4-chloro-N-methyl-1,2,5-thiadiazol-3-amine N-[(4-bromophenyl)methyl]-4-chlo…

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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) 3.77 6.81 -4.44 0 3 0 29 318.627 3 ↓

Analogs

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Popular Name: N-[(3-bromophenyl)methyl]-4-chloro-N-methyl-1,2,5-thiadiazol-3-amine N-[(3-bromophenyl)methyl]-4-chlo…

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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) 3.74 6.8 -5.12 0 3 0 29 318.627 3 ↓

Parameters Provided:

ring.id = 12935
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 = 12935 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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