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Analogs

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Popular Name: 3-[(1S,3R)-3-methoxycyclohexyl]sulfanyl-1H-1,2,4-triazol-5-amine 3-[(1S,3R)-3-methoxycyclohexyl]s…

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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) 1.25 4.82 -8.19 3 5 0 77 228.321 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1S,3S)-3-methoxycyclohexyl]sulfanyl-1H-1,2,4-triazol-5-amine 3-[(1S,3S)-3-methoxycyclohexyl]s…

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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) 1.25 4.97 -9.13 3 5 0 77 228.321 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1R,3R)-3-methoxycyclohexyl]sulfanyl-1H-1,2,4-triazol-5-amine 3-[(1R,3R)-3-methoxycyclohexyl]s…

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) 1.25 4.97 -9.13 3 5 0 77 228.321 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1R,3S)-3-methoxycyclohexyl]sulfanyl-1H-1,2,4-triazol-5-amine 3-[(1R,3S)-3-methoxycyclohexyl]s…

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) 1.25 4.82 -8.18 3 5 0 77 228.321 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexanol (1R,2S)-2-[(5-amino-1H-1,2,4-tri…

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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) 0.87 2.67 -9.82 4 5 0 88 214.294 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexanol (1R,2R)-2-[(5-amino-1H-1,2,4-tri…

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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) 0.87 2.53 -10.15 4 5 0 88 214.294 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexanol (1S,2S)-2-[(5-amino-1H-1,2,4-tri…

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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) 0.87 2.53 -10.14 4 5 0 88 214.294 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexanol (1S,2R)-2-[(5-amino-1H-1,2,4-tri…

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) 0.87 2.67 -9.84 4 5 0 88 214.294 2 ↓

Parameters Provided:

ring.id = 479487
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 = 479487 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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