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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
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Analogs

2791565
2791565
2791566
2791566
2573490
2573490

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[2-(4-Chloro-phenyl)-cyclopropyl]-4-ethyl-4H-[1,2,4]triazole-3-thiol 5-[2-(4-Chloro-phenyl)-cycloprop…

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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) 2.29 10.65 -14.18 1 3 0 34 279.796 3 ↓
Mid Mid (pH 6-8) 3.02 10.5 -48.64 0 3 -1 31 278.788 3 ↓

Analogs

2791566
2791566
2791564
2791564
2573490
2573490

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[2-(4-Chloro-phenyl)-cyclopropyl]-4-ethyl-4H-[1,2,4]triazole-3-thiol 5-[2-(4-Chloro-phenyl)-cycloprop…

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) 2.29 10.39 -12.5 1 3 0 34 279.796 3 ↓
Mid Mid (pH 6-8) 3.02 10.53 -45.49 0 3 -1 31 278.788 3 ↓

Analogs

2791564
2791564
2791565
2791565

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[2-(4-Chloro-phenyl)-cyclopropyl]-4-ethyl-4H-[1,2,4]triazole-3-thiol 5-[2-(4-Chloro-phenyl)-cycloprop…

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) 2.29 10.39 -12.52 1 3 0 34 279.796 3 ↓
Mid Mid (pH 6-8) 3.02 10.56 -45.52 0 3 -1 31 278.788 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-Ethyl-5-(2-phenylcyclopropyl)-4H-1,2,4-triazole-3-thiol 4-Ethyl-5-(2-phenylcyclopropyl)-…

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) 1.61 10.13 -12.97 1 3 0 34 245.351 3 ↓
Mid Mid (pH 6-8) 2.34 9.98 -48.62 0 3 -1 31 244.343 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-Ethyl-5-(2-phenylcyclopropyl)-4H-1,2,4-triazole-3-thiol 4-Ethyl-5-(2-phenylcyclopropyl)-…

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) 1.61 9.87 -11.45 1 3 0 34 245.351 3 ↓
Mid Mid (pH 6-8) 2.34 10 -46.3 0 3 -1 31 244.343 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-Ethyl-5-(2-phenylcyclopropyl)-4H-1,2,4-triazole-3-thiol 4-Ethyl-5-(2-phenylcyclopropyl)-…

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) 1.61 10.11 -13.05 1 3 0 34 245.351 3 ↓
Mid Mid (pH 6-8) 2.34 9.95 -48.7 0 3 -1 31 244.343 3 ↓

Parameters Provided:

ring.id = 237412
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 = 237412 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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