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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)imidazole-1,5-diamine 4-(1-methyl-3,4-dihydro-2H-quino…

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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) 1.25 6.43 -31.85 5 5 1 74 244.322 1 ↓
Mid Mid (pH 6-8) 1.25 6.01 -9.94 4 5 0 73 243.314 1 ↓
Lo Low (pH 4.5-6) 1.25 7.06 -78.11 6 5 2 76 245.33 1 ↓

Analogs

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Popular Name: 2-methyl-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)imidazole-1,5-diamine 2-methyl-4-(1-methyl-3,4-dihydro…

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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) 1.34 6.28 -26.98 5 5 1 74 258.349 1 ↓
Mid Mid (pH 6-8) 1.34 5.89 -10.21 4 5 0 73 257.341 1 ↓
Lo Low (pH 4.5-6) 1.34 6.92 -74.57 6 5 2 76 259.357 1 ↓

Analogs

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Popular Name: 2-ethyl-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)imidazole-1,5-diamine 2-ethyl-4-(1-methyl-3,4-dihydro-…

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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) 1.91 6.9 -25.97 5 5 1 74 272.376 2 ↓
Mid Mid (pH 6-8) 1.91 6.5 -10.01 4 5 0 73 271.368 2 ↓
Lo Low (pH 4.5-6) 1.91 7.53 -74.19 6 5 2 76 273.384 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-propyl-imidazole-1,5-diamine 4-(1-methyl-3,4-dihydro-2H-quino…

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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) 2.41 7.67 -26.15 5 5 1 74 286.403 3 ↓
Mid Mid (pH 6-8) 2.41 7.28 -9.92 4 5 0 73 285.395 3 ↓
Lo Low (pH 4.5-6) 2.41 8.31 -74.84 6 5 2 76 287.411 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-isopropyl-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)imidazole-1,5-diamine 2-isopropyl-4-(1-methyl-3,4-dihy…

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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) 2.39 7.49 -24.88 5 5 1 74 286.403 2 ↓
Mid Mid (pH 6-8) 2.39 6.97 -9.72 4 5 0 73 285.395 2 ↓
Lo Low (pH 4.5-6) 2.39 8.12 -73.61 6 5 2 76 287.411 2 ↓

Parameters Provided:

ring.id = 26834
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 = 26834 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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