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

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-[4-(chloromethyl)thiazol-2-yl]ethyl]-N,N-dimethyl-pyrrolidin-3-amine (3R)-1-[2-[4-(chloromethyl)thiaz…

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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) 1.77 5.43 -37.06 1 3 1 21 274.841 5 ↓
Hi High (pH 8-9.5) 1.77 3.02 -4.89 0 3 0 19 273.833 5 ↓
Lo Low (pH 4.5-6) 1.77 7.79 -109.2 2 3 2 22 275.849 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-[4-(chloromethyl)thiazol-2-yl]ethyl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[2-[4-(chloromethyl)thiaz…

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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) 1.77 5.44 -37.13 1 3 1 21 274.841 5 ↓
Hi High (pH 8-9.5) 1.77 3.06 -4.91 0 3 0 19 273.833 5 ↓
Lo Low (pH 4.5-6) 1.77 7.81 -109.57 2 3 2 22 275.849 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-[4-(chloromethyl)thiazol-2-yl]ethyl]-N,N-diethyl-pyrrolidin-3-amine (3R)-1-[2-[4-(chloromethyl)thiaz…

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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) 2.52 6.46 -35.01 1 3 1 21 302.895 7 ↓
Hi High (pH 8-9.5) 2.52 4.37 -4.4 0 3 0 19 301.887 7 ↓
Lo Low (pH 4.5-6) 2.52 8.84 -109.76 2 3 2 22 303.903 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-[4-(chloromethyl)thiazol-2-yl]ethyl]-N,N-diethyl-pyrrolidin-3-amine (3S)-1-[2-[4-(chloromethyl)thiaz…

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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) 2.52 6.45 -35.16 1 3 1 21 302.895 7 ↓
Hi High (pH 8-9.5) 2.52 4.41 -4.34 0 3 0 19 301.887 7 ↓
Lo Low (pH 4.5-6) 2.52 8.86 -110.4 2 3 2 22 303.903 7 ↓

Analogs

42494054
42494054
42512296
42512296
42512320
42512320
52762015
52762015
52762016
52762016

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-1-[2-[4-(chloromethyl)thiazol-2-yl]ethyl]pyrrolidin-2-yl]methanol [(2R)-1-[2-[4-(chloromethyl)thia…

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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) 1.38 3.68 -38.76 2 3 1 38 261.798 5 ↓
Hi High (pH 8-9.5) 1.38 1.82 -5.7 1 3 0 36 260.79 5 ↓

Analogs

42494054
42494054
42512296
42512296
42512320
42512320
43426728
43426728
43426729
43426729

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-1-[2-[4-(chloromethyl)thiazol-2-yl]ethyl]pyrrolidin-2-yl]methanol [(2S)-1-[2-[4-(chloromethyl)thia…

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) 1.38 4.17 -35.43 2 3 1 38 261.798 5 ↓
Hi High (pH 8-9.5) 1.38 2.06 -6.22 1 3 0 36 260.79 5 ↓

Parameters Provided:

ring.id = 108978
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 = 108978 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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