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

Analogs

Draw Identity 99% 90% 80% 70%

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) 4.30 11.71 -16.24 1 9 0 95 512.994 9 ↓
Mid Mid (pH 6-8) 4.30 11.99 -47.42 2 9 1 97 514.002 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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) 4.30 11.63 -15.93 1 9 0 95 512.994 9 ↓
Mid Mid (pH 6-8) 4.30 11.95 -47.91 2 9 1 97 514.002 9 ↓

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) 4.63 12.4 -13.17 1 9 0 95 527.021 9 ↓
Mid Mid (pH 6-8) 4.63 12.72 -45.85 2 9 1 97 528.029 9 ↓

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) 4.63 12.33 -13.22 1 9 0 95 527.021 9 ↓
Mid Mid (pH 6-8) 4.63 12.66 -46.28 2 9 1 97 528.029 9 ↓

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) 3.05 7.12 -19.4 1 11 0 114 512.563 9 ↓
Mid Mid (pH 6-8) 3.05 8.79 -58.16 2 11 1 115 513.571 9 ↓

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) 3.05 6.75 -15.74 1 11 0 114 512.563 9 ↓
Mid Mid (pH 6-8) 3.05 8.74 -47.92 2 11 1 115 513.571 9 ↓

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) 4.03 10.49 -16.46 1 9 0 95 500.983 8 ↓
Mid Mid (pH 6-8) 4.03 10.86 -51.18 2 9 1 97 501.991 8 ↓

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) 4.03 10.5 -16.49 1 9 0 95 500.983 8 ↓
Mid Mid (pH 6-8) 4.03 10.87 -51.21 2 9 1 97 501.991 8 ↓

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) 2.98 8.62 -16.68 1 11 0 114 526.59 9 ↓
Mid Mid (pH 6-8) 2.98 10.15 -57.78 2 11 1 115 527.598 9 ↓

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) 2.98 8.4 -17.8 1 11 0 114 526.59 9 ↓
Mid Mid (pH 6-8) 2.98 9.93 -58.89 2 11 1 115 527.598 9 ↓

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) 3.40 8.95 -16.14 1 9 0 95 466.538 7 ↓
Mid Mid (pH 6-8) 3.40 10.73 -55.26 2 9 1 97 467.546 7 ↓

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) 3.40 9.72 -15.35 1 9 0 95 466.538 7 ↓
Mid Mid (pH 6-8) 3.40 10.6 -52.42 2 9 1 97 467.546 7 ↓

Analogs

45644704
45644704
45644706
45644706

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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) 3.39 8.54 -14.78 1 10 0 105 496.564 8 ↓
Mid Mid (pH 6-8) 3.39 10.17 -54.38 2 10 1 106 497.572 8 ↓

Analogs

45644704
45644704
45644706
45644706

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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) 3.39 8.5 -15.2 1 10 0 105 496.564 8 ↓
Mid Mid (pH 6-8) 3.39 10.1 -53.91 2 10 1 106 497.572 8 ↓

Analogs

15936997
15936997
15936999
15936999

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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) 2.66 6.89 -16.09 2 9 0 104 452.511 7 ↓
Mid Mid (pH 6-8) 2.66 9.22 -56.12 3 9 1 105 453.519 7 ↓

Analogs

15936997
15936997
15936999
15936999

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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) 2.66 6.83 -16.58 2 9 0 104 452.511 7 ↓
Mid Mid (pH 6-8) 2.66 9.17 -56.36 3 9 1 105 453.519 7 ↓

Analogs

15936295
15936295
67689702
67689702
67689703
67689703

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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) 2.26 5.52 -17.05 2 10 0 113 468.51 8 ↓
Mid Mid (pH 6-8) 2.26 7.85 -57.8 3 10 1 115 469.518 8 ↓

Analogs

67689702
67689702
67689703
67689703
15936294
15936294

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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) 2.26 5.46 -18.32 2 10 0 113 468.51 8 ↓
Mid Mid (pH 6-8) 2.26 7.8 -58.29 3 10 1 115 469.518 8 ↓

Analogs

15936306
15936306

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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) 2.37 6.85 -13.6 2 9 0 104 456.474 7 ↓
Mid Mid (pH 6-8) 2.37 8.87 -51.06 3 9 1 105 457.482 7 ↓

Analogs

15936305
15936305

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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) 2.37 6.22 -17.32 2 9 0 104 456.474 7 ↓
Mid Mid (pH 6-8) 2.37 8.56 -59.36 3 9 1 105 457.482 7 ↓

Analogs

15936999
15936999
57478475
57478475
57478477
57478477
15936291
15936291

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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) 2.21 6.22 -16.05 2 9 0 104 438.484 7 ↓
Mid Mid (pH 6-8) 2.21 8.55 -56.19 3 9 1 105 439.492 7 ↓

Analogs

57478475
57478475
57478477
57478477
15936997
15936997

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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) 2.21 6.15 -16.48 2 9 0 104 438.484 7 ↓
Mid Mid (pH 6-8) 2.21 8.49 -56.36 3 9 1 105 439.492 7 ↓

Analogs

15937164
15937164
67689702
67689702
67689703
67689703

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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) 3.00 7.81 -13.57 2 10 0 113 496.564 9 ↓
Mid Mid (pH 6-8) 3.00 9.81 -49.48 3 10 1 115 497.572 9 ↓

Analogs

67689702
67689702
67689703
67689703
15937162
15937162

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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) 3.00 7.1 -17.42 2 10 0 113 496.564 9 ↓
Mid Mid (pH 6-8) 3.00 9.38 -58.62 3 10 1 115 497.572 9 ↓

Parameters Provided:

ring.id = 21242
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 = 21242 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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