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

Analogs

4551163
4551163

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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) 3.38 9.8 -39.63 1 4 -1 57 337.424 4 ↓
Mid Mid (pH 6-8) 3.38 9.81 -40.93 1 4 -1 57 337.424 4 ↓
Mid Mid (pH 6-8) 3.75 10.85 -9.74 2 4 0 50 338.432 5 ↓

Analogs

4551162
4551162

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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) 3.38 9.77 -39.91 1 4 -1 57 337.424 4 ↓
Mid Mid (pH 6-8) 3.38 9.74 -41.05 1 4 -1 57 337.424 4 ↓
Mid Mid (pH 6-8) 3.75 10.85 -9.59 2 4 0 50 338.432 5 ↓

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) 3.63 8.28 -36.78 1 5 -1 74 369.397 4 ↓
Mid Mid (pH 6-8) 2.71 10.39 -11.4 2 5 0 67 370.405 5 ↓

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) 3.63 8.3 -37.02 1 5 -1 74 369.397 4 ↓
Mid Mid (pH 6-8) 2.71 10.39 -11.5 2 5 0 67 370.405 5 ↓

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) 4.12 8.74 -36.91 1 5 -1 74 385.852 4 ↓
Mid Mid (pH 6-8) 3.20 10.84 -10.7 2 5 0 67 386.86 5 ↓

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) 4.12 8.73 -37.11 1 5 -1 74 385.852 4 ↓
Mid Mid (pH 6-8) 3.20 10.83 -10.72 2 5 0 67 386.86 5 ↓

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) 3.58 8.24 -40.26 1 5 -1 74 369.397 4 ↓
Mid Mid (pH 6-8) 2.66 10.45 -11.8 2 5 0 67 370.405 5 ↓

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) 3.58 7.93 -42.04 1 5 -1 74 369.397 4 ↓
Mid Mid (pH 6-8) 2.66 10.47 -11.8 2 5 0 67 370.405 5 ↓

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) 3.89 8.89 -40.27 1 5 -1 74 365.434 4 ↓
Mid Mid (pH 6-8) 2.97 11.07 -10.93 2 5 0 67 366.442 5 ↓

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) 3.89 8.88 -40.37 1 5 -1 74 365.434 4 ↓
Mid Mid (pH 6-8) 2.97 11.1 -10.97 2 5 0 67 366.442 5 ↓

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) 4.09 8.41 -39.46 1 5 -1 74 385.852 4 ↓
Mid Mid (pH 6-8) 3.17 10.93 -11.69 2 5 0 67 386.86 5 ↓

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) 4.09 8.4 -39.77 1 5 -1 74 385.852 4 ↓
Mid Mid (pH 6-8) 3.17 10.97 -11.68 2 5 0 67 386.86 5 ↓

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) 4.08 8.96 -35.74 1 5 -1 74 383.424 4 ↓
Mid Mid (pH 6-8) 3.16 11.14 -10.72 2 5 0 67 384.432 5 ↓

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) 4.08 8.95 -35.8 1 5 -1 74 383.424 4 ↓
Mid Mid (pH 6-8) 3.16 11.15 -10.86 2 5 0 67 384.432 5 ↓

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) 3.79 8.35 -32.71 1 5 -1 74 387.387 4 ↓
Mid Mid (pH 6-8) 2.87 10.46 -11.56 2 5 0 67 388.395 5 ↓

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) 3.79 8.37 -32.9 1 5 -1 74 387.387 4 ↓
Mid Mid (pH 6-8) 2.87 10.46 -11.6 2 5 0 67 388.395 5 ↓

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) 4.05 8.96 -35.81 1 5 -1 74 383.424 4 ↓
Mid Mid (pH 6-8) 3.13 11.14 -10.75 2 5 0 67 384.432 5 ↓

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) 4.05 8.95 -35.83 1 5 -1 74 383.424 4 ↓
Mid Mid (pH 6-8) 3.13 11.15 -10.79 2 5 0 67 384.432 5 ↓

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) 3.91 8.89 -40.2 1 5 -1 74 365.434 4 ↓
Mid Mid (pH 6-8) 3.03 10.16 -47.11 1 5 -1 68 365.434 5 ↓
Mid Mid (pH 6-8) 2.99 11.01 -10.97 2 5 0 67 366.442 5 ↓

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) 3.91 8.86 -40.65 1 5 -1 74 365.434 4 ↓
Mid Mid (pH 6-8) 3.03 9.9 -47.47 1 5 -1 68 365.434 5 ↓
Mid Mid (pH 6-8) 2.99 10.98 -10.79 2 5 0 67 366.442 5 ↓

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) 3.74 8.28 -38.62 1 5 -1 74 387.387 4 ↓
Mid Mid (pH 6-8) 2.82 10.51 -12.58 2 5 0 67 388.395 5 ↓

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) 3.74 8.26 -38.82 1 5 -1 74 387.387 4 ↓
Mid Mid (pH 6-8) 2.82 10.5 -12.65 2 5 0 67 388.395 5 ↓

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) 4.03 8.89 -42.42 1 5 -1 74 383.424 4 ↓
Mid Mid (pH 6-8) 3.11 11.19 -12.37 2 5 0 67 384.432 5 ↓

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) 4.03 8.87 -42.23 1 5 -1 74 383.424 4 ↓
Mid Mid (pH 6-8) 3.11 11.2 -12.33 2 5 0 67 384.432 5 ↓

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) 4.00 8.89 -42.48 1 5 -1 74 383.424 4 ↓
Mid Mid (pH 6-8) 3.08 11.19 -12.31 2 5 0 67 384.432 5 ↓

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) 4.00 8.87 -42.33 1 5 -1 74 383.424 4 ↓
Mid Mid (pH 6-8) 3.08 11.2 -12.31 2 5 0 67 384.432 5 ↓

Analogs

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Popular Name: {2-ethoxy-4-[5-(ethoxycarbonyl)-6-phenyl-2-thioxo-1,2,3,4-tetrahydro-4-pyrimidinyl]phenoxy}acetic acid {2-ethoxy-4-[5-(ethoxycarbonyl)-…

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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) 2.65 11.36 -97.01 1 8 -2 115 454.504 9 ↓

Analogs

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Popular Name: {2-ethoxy-4-[5-(ethoxycarbonyl)-6-phenyl-2-thioxo-1,2,3,4-tetrahydro-4-pyrimidinyl]phenoxy}acetic acid {2-ethoxy-4-[5-(ethoxycarbonyl)-…

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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) 2.65 11.33 -96.31 1 8 -2 115 454.504 9 ↓

Parameters Provided:

ring.id = 248242
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 = 248242 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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