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Analogs

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

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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 5.75 -2.08 1 3 0 38 245.779 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 5.09 -2.29 1 3 0 38 245.779 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.47 5.44 -2.24 1 3 0 38 245.779 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 3.47 5.21 -2.26 1 3 0 38 245.779 2 ↓

Analogs

35232110
35232110
37372492
37372492
35232210
35232210
35232275
35232275
37372502
37372502

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Popular Name: 4-chloro-N-methyl-N-(4-methylcyclohexyl)-1,2,5-thiadiazol-3-amine 4-chloro-N-methyl-N-(4-methylcyc…

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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) 3.24 6.07 -2.18 0 3 0 29 245.779 2 ↓

Parameters Provided:

ring.id = 393032
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 = 393032 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=393032&filter.purchasability=annotated

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