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Analogs

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Popular Name: N-[4-[(1R)-2-[(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)amino]-1-methyl-2-oxo-ethyl]sulfanylphenyl]-3-m N-[4-[(1R)-2-[(3-ethylsulfanyl-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) 4.28 8.65 -20.4 2 7 0 93 474.633 9 ↓

Analogs

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Popular Name: N-[4-[(1S)-2-[(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)amino]-1-methyl-2-oxo-ethyl]sulfanylphenyl]-3-m N-[4-[(1S)-2-[(3-ethylsulfanyl-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) 4.28 8.63 -18.88 2 7 0 93 474.633 9 ↓

Analogs

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Popular Name: N-[4-[(1R)-2-[(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)amino]-1-methyl-2-oxo-ethyl]sulfanylphenyl]-4-m N-[4-[(1R)-2-[(3-ethylsulfanyl-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) 4.30 8.66 -17.96 2 7 0 93 474.633 9 ↓

Analogs

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Popular Name: N-[4-[(1S)-2-[(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)amino]-1-methyl-2-oxo-ethyl]sulfanylphenyl]-4-m N-[4-[(1S)-2-[(3-ethylsulfanyl-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) 4.30 8.65 -16.84 2 7 0 93 474.633 9 ↓

Analogs

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Popular Name: N-[4-[2-[(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)amino]-2-oxo-ethyl]sulfanylphenyl]-3-nitro-benzamide N-[4-[2-[(3-ethylsulfanyl-1,2,4-…

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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) 3.81 9.58 -27.01 2 9 0 130 475.577 9 ↓

Analogs

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Popular Name: N-[4-[2-[(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)amino]-2-oxo-ethyl]sulfanylphenyl]-4-nitro-benzamide N-[4-[2-[(3-ethylsulfanyl-1,2,4-…

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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) 3.84 9.6 -21.78 2 9 0 130 475.577 9 ↓

Analogs

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Popular Name: 3-chloro-N-[4-[(1R)-2-[(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)amino]-1-methyl-2-oxo-ethyl]sulfanylph 3-chloro-N-[4-[(1R)-2-[(3-ethyls…

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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) 4.90 9.86 -18.74 2 6 0 84 479.052 8 ↓

Analogs

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Popular Name: 3-chloro-N-[4-[(1S)-2-[(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)amino]-1-methyl-2-oxo-ethyl]sulfanylph 3-chloro-N-[4-[(1S)-2-[(3-ethyls…

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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) 4.90 9.85 -17.29 2 6 0 84 479.052 8 ↓

Analogs

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Popular Name: N-[4-[(1R)-2-[(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)amino]-1-methyl-2-oxo-ethyl]sulfanylphenyl]-4-n N-[4-[(1R)-2-[(3-ethylsulfanyl-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) 4.20 10.06 -19.46 2 9 0 130 489.604 9 ↓

Analogs

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Popular Name: N-[4-[(1S)-2-[(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)amino]-1-methyl-2-oxo-ethyl]sulfanylphenyl]-4-n N-[4-[(1S)-2-[(3-ethylsulfanyl-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) 4.20 10.05 -18.31 2 9 0 130 489.604 9 ↓

Analogs

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Popular Name: N-[4-[(1R)-2-[(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)amino]-1-methyl-2-oxo-ethyl]sulfanylphenyl]-3-n N-[4-[(1R)-2-[(3-ethylsulfanyl-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) 4.18 10.04 -24.8 2 9 0 130 489.604 9 ↓

Analogs

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Popular Name: N-[4-[(1S)-2-[(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)amino]-1-methyl-2-oxo-ethyl]sulfanylphenyl]-3-n N-[4-[(1S)-2-[(3-ethylsulfanyl-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) 4.18 10.03 -22.95 2 9 0 130 489.604 9 ↓

Analogs

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Popular Name: N-[4-[2-[(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)amino]-2-oxo-ethyl]sulfanylphenyl]-2,6-dimethoxy-ben N-[4-[2-[(3-ethylsulfanyl-1,2,4-…

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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) 3.90 7.44 -23.28 2 8 0 102 490.632 10 ↓

Analogs

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Popular Name: N-[4-[2-[(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)amino]-2-oxo-ethyl]sulfanylphenyl]-3,4-dimethoxy-ben N-[4-[2-[(3-ethylsulfanyl-1,2,4-…

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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) 3.52 8.11 -22.66 2 8 0 102 490.632 10 ↓

Parameters Provided:

ring.id = 112592
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 = 112592 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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