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

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-[(1S)-2-imidazol-1-yl-1-methyl-ethyl]isoindoline-1,3-dione 5-amino-2-[(1S)-2-imidazol-1-yl-…

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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) 0.62 5.97 -13.11 2 6 0 83 270.292 3 ↓
Mid Mid (pH 6-8) 0.62 6.48 -34.85 3 6 1 84 271.3 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-[(1R)-2-imidazol-1-yl-1-methyl-ethyl]isoindoline-1,3-dione 5-amino-2-[(1R)-2-imidazol-1-yl-…

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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) 0.62 5.91 -13.03 2 6 0 83 270.292 3 ↓
Mid Mid (pH 6-8) 0.62 6.42 -31.44 3 6 1 84 271.3 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-[(1S)-2-imidazol-1-yl-1-methyl-ethyl]isoindoline-1,3-dione 4-amino-2-[(1S)-2-imidazol-1-yl-…

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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) 0.69 6.06 -12.79 2 6 0 83 270.292 3 ↓
Mid Mid (pH 6-8) 0.69 6.58 -34.48 3 6 1 84 271.3 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-[(1R)-2-imidazol-1-yl-1-methyl-ethyl]isoindoline-1,3-dione 4-amino-2-[(1R)-2-imidazol-1-yl-…

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) 0.69 6.01 -12.77 2 6 0 83 270.292 3 ↓
Mid Mid (pH 6-8) 0.69 6.52 -30.97 3 6 1 84 271.3 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-[2-(2-methylimidazol-1-yl)ethyl]isoindoline-1,3-dione 4-amino-2-[2-(2-methylimidazol-1…

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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) 0.42 5.59 -30.86 3 6 1 84 271.3 3 ↓
Mid Mid (pH 6-8) 0.42 5.12 -11.41 2 6 0 83 270.292 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-[2-(2-methylimidazol-1-yl)ethyl]isoindoline-1,3-dione 5-amino-2-[2-(2-methylimidazol-1…

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) 0.35 5.48 -31.13 3 6 1 84 271.3 3 ↓
Mid Mid (pH 6-8) 0.35 5 -11.53 2 6 0 83 270.292 3 ↓

Parameters Provided:

ring.id = 544619
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 = 544619 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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