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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) 0.97 5.37 -13.55 0 7 0 54 331.467 5 ↓
Lo Low (pH 4.5-6) 0.97 5.5 -40.16 1 7 1 55 332.475 5 ↓

Analogs

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Popular Name: 2-[4-[[5-(dimethylamino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]piperazin-1-yl]-N-[(1R)-1-methylpropy 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) 1.34 4.57 -14.49 1 7 0 57 372.564 7 ↓
Lo Low (pH 4.5-6) 1.34 4.63 -38.16 2 7 1 58 373.572 7 ↓

Analogs

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Popular Name: 2-[4-[[5-(dimethylamino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]piperazin-1-yl]-N-[(1S)-1-methylpropy 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) 1.34 4.57 -14.47 1 7 0 57 372.564 7 ↓
Lo Low (pH 4.5-6) 1.34 4.63 -38.14 2 7 1 58 373.572 7 ↓

Analogs

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Popular Name: 1-[4-[[5-(dimethylamino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]piperazin-1-yl]-2,2-dimethyl-propan-1 1-[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) 1.55 5.97 -16.2 0 6 0 45 343.522 4 ↓
Lo Low (pH 4.5-6) 1.55 6.12 -42.82 1 6 1 46 344.53 4 ↓

Analogs

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Popular Name: 5-(dimethylamino)-3-[[4-(3,3-dimethylbutyl)piperazin-1-yl]methyl]-1,3,4-thiadiazole-2-thione 5-(dimethylamino)-3-[[4-(3,3-dim…

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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) 2.50 8.83 -42.31 1 5 1 29 344.574 6 ↓
Hi High (pH 8-9.5) 2.50 6.6 -8.59 0 5 0 28 343.566 6 ↓

Analogs

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Popular Name: 2-(diethylamino)-1-[4-[[5-(dimethylamino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]piperazin-1-yl]ethan 2-(diethylamino)-1-[4-[[5-(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) 0.62 7.64 -42.7 1 7 1 49 373.572 7 ↓
Hi High (pH 8-9.5) 0.62 5.64 -13.84 0 7 0 48 372.564 7 ↓
Lo Low (pH 4.5-6) 0.62 7.74 -80.14 2 7 2 50 374.58 7 ↓

Analogs

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Popular Name: methyl methyl

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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) -0.14 3.61 -12.73 0 6 0 51 288.398 3 ↓
Lo Low (pH 4.5-6) -0.14 5.93 -44.19 1 6 1 52 289.406 3 ↓

Analogs

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Popular Name: methyl methyl

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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) 0.87 3.75 -12.11 0 6 0 51 320.465 4 ↓
Lo Low (pH 4.5-6) 0.87 6.1 -45.19 1 6 1 52 321.473 4 ↓

Analogs

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Popular Name: 5-ethoxy-3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3,4-thiadiazole-2-thione 5-ethoxy-3-[(4-methylsulfonylpip…

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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) 0.23 -0.04 -12.3 0 7 0 68 338.48 5 ↓
Lo Low (pH 4.5-6) 0.23 2.4 -45.07 1 7 1 69 339.488 5 ↓

Parameters Provided:

ring.id = 297470
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 = 297470 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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