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

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Popular Name: (3R)-1-[3-[4-(chloromethyl)thiazol-2-yl]propyl]-N,N-dimethyl-pyrrolidin-3-amine (3R)-1-[3-[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) 2.04 6.17 -39.52 1 3 1 21 288.868 6 ↓
Mid Mid (pH 6-8) 2.04 6.2 -38.39 1 3 1 21 288.868 6 ↓
Lo Low (pH 4.5-6) 2.04 8.56 -109.59 2 3 2 22 289.876 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[3-[4-(chloromethyl)thiazol-2-yl]propyl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[3-[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) 2.04 6.2 -39.76 1 3 1 21 288.868 6 ↓
Mid Mid (pH 6-8) 2.04 6.21 -38.01 1 3 1 21 288.868 6 ↓
Lo Low (pH 4.5-6) 2.04 8.6 -109.69 2 3 2 22 289.876 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[3-[4-(chloromethyl)thiazol-2-yl]propyl]-N,N-diethyl-pyrrolidin-3-amine (3R)-1-[3-[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) 2.80 9.67 -110.66 2 3 2 22 317.93 8 ↓
Hi High (pH 8-9.5) 2.80 7.57 -40.27 1 3 1 21 316.922 8 ↓
Mid Mid (pH 6-8) 2.80 7.19 -35.06 1 3 1 21 316.922 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 2.80 9.64 -110.37 2 3 2 22 317.93 8 ↓
Hi High (pH 8-9.5) 2.80 7.49 -40.01 1 3 1 21 316.922 8 ↓
Mid Mid (pH 6-8) 2.80 7.22 -36 1 3 1 21 316.922 8 ↓

Parameters Provided:

ring.id = 322623
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 = 322623 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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