UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4891062
4891062
4891079
4891079
4891200
4891200
4890607
4890607
4883295
4883295

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Popular Name: 5-(4-fluorophenyl)-2,2-dimethyl-2,3-dihydro-4H-imidazole-4-thione 5-(4-fluorophenyl)-2,2-dimethyl-…

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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) 1.79 3.75 -6.52 1 2 0 26 222.288 1 ↓
Hi High (pH 8-9.5) 1.79 2.97 -37.3 0 2 -1 25 221.28 1 ↓

Analogs

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Popular Name: 5-(4-butoxyphenyl)-2,2-dimethyl-2,3-dihydro-4H-imidazole-4-thione 5-(4-butoxyphenyl)-2,2-dimethyl-…

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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) 3.12 5.51 -6.99 1 3 0 36 276.405 5 ↓
Hi High (pH 8-9.5) 3.12 4.73 -39.72 0 3 -1 34 275.397 5 ↓

Analogs

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Popular Name: 5-(4-tert-butylphenyl)-2,2-dimethyl-2,3-dihydro-4H-imidazole-4-thione 5-(4-tert-butylphenyl)-2,2-dimet…

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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) 3.34 6 -6.64 1 2 0 26 260.406 2 ↓
Hi High (pH 8-9.5) 3.34 5.23 -41.2 0 2 -1 25 259.398 2 ↓

Analogs

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Popular Name: 2,2-dimethyl-5-(3-methylphenyl)-2,3-dihydro-4H-imidazole-4-thione 2,2-dimethyl-5-(3-methylphenyl)-…

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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) 2.05 4.34 -7.21 1 2 0 26 218.325 1 ↓
Hi High (pH 8-9.5) 2.05 3.58 -41.79 0 2 -1 25 217.317 1 ↓

Analogs

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Popular Name: 5-(3-chlorophenyl)-2,2-dimethyl-2,3-dihydro-4H-imidazole-4-thione 5-(3-chlorophenyl)-2,2-dimethyl-…

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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) 2.28 4.3 -22.78 1 2 0 26 238.743 1 ↓
Hi High (pH 8-9.5) 2.28 3.42 -37.7 0 2 -1 25 237.735 1 ↓
Mid Mid (pH 6-8) 2.28 4.19 -6.35 1 2 0 26 238.743 1 ↓

Analogs

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Popular Name: (2R)-4-(4-bromophenyl)-2-ethyl-2-methyl-1H-imidazole-5-thione (2R)-4-(4-bromophenyl)-2-ethyl-2…

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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) 3.50 4.99 -5.9 1 2 0 26 297.221 2 ↓
Hi High (pH 8-9.5) 3.50 4.6 -37.59 0 2 -1 25 296.213 2 ↓

Analogs

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Popular Name: (2S)-4-(4-bromophenyl)-2-ethyl-2-methyl-1H-imidazole-5-thione (2S)-4-(4-bromophenyl)-2-ethyl-2…

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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) 3.50 5.06 -5.94 1 2 0 26 297.221 2 ↓
Hi High (pH 8-9.5) 3.50 4.6 -37.53 0 2 -1 25 296.213 2 ↓

Analogs

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Popular Name: 4-(4-methoxyphenyl)-2,2-dimethyl-1H-imidazole-5-thione 4-(4-methoxyphenyl)-2,2-dimethyl…

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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) 1.68 3.01 -7.95 1 3 0 36 234.324 2 ↓
Hi High (pH 8-9.5) 1.68 2.22 -41.31 0 3 -1 34 233.316 2 ↓

Parameters Provided:

ring.id = 249729
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 = 249729 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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