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

Analogs

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Popular Name: ethyl ethyl

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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) 2.85 7.11 -10.05 1 7 0 63 393.538 6 ↓

Analogs

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Popular Name: 5-(tert-butylamino)-3-[[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]methyl]-1,3,4-thiadiazole-2-thione 5-(tert-butylamino)-3-[[4-(4-chl…

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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) 3.73 8.79 -15.08 1 8 0 82 442.998 6 ↓
Mid Mid (pH 6-8) 3.73 11.18 -48.81 2 8 1 83 444.006 6 ↓

Analogs

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Popular Name: 2-[4-[[5-(dimethylamino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]piperazin-1-yl]benzonitrile 2-[4-[[5-(dimethylamino)-2-thiox…

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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) 1.93 8.87 -13.47 0 6 0 51 360.512 4 ↓
Lo Low (pH 4.5-6) 1.93 8.99 -34.86 1 6 1 53 361.52 4 ↓

Analogs

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Popular Name: 4-[4-[[5-(dimethylamino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]piperazin-1-yl]-3-fluoro-benzonitrile 4-[4-[[5-(dimethylamino)-2-thiox…

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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) 2.07 8.76 -12.44 0 6 0 51 378.502 4 ↓
Lo Low (pH 4.5-6) 2.07 8.89 -37.67 1 6 1 53 379.51 4 ↓

Analogs

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Popular Name: 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1,3,4-thiadiazole-2-thione 3-[[4-(4-chlorophenyl)piperazin-…

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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) 2.67 6.8 -11.69 0 4 0 24 326.878 3 ↓
Mid Mid (pH 6-8) 2.67 9.13 -45.43 1 4 1 26 327.886 3 ↓

Parameters Provided:

ring.id = 123346
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 = 123346 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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