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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

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Popular Name: 2-dimethylaminoethyl-methyl-BLAHcarbonitrile 2-dimethylaminoethyl-methyl-BLAH…

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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) 3.11 11.82 -59.69 1 5 1 49 320.42 3 ↓
Hi High (pH 8-9.5) 3.11 9.45 -17.47 0 5 0 48 319.412 3 ↓

Analogs

4170445
4170445

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Popular Name: methyl-phenethyl-BLAHcarbonitrile methyl-phenethyl-BLAHcarbonitrile

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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) 4.89 0.71 -17 0 4 0 44 352.441 3 ↓

Analogs

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Popular Name: N-[4-(cyano-methyl-BLAHyl)phenyl]acetamide N-[4-(cyano-methyl-BLAHyl)phenyl…

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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 11.43 -23.12 1 6 0 73 381.439 2 ↓
Lo Low (pH 4.5-6) 4.00 11.88 -28.74 2 6 1 75 382.447 2 ↓

Analogs

4149324
4149324

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Popular Name: 3-dimethylaminopropyl-methyl-BLAHcarbonitrile 3-dimethylaminopropyl-methyl-BLA…

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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 12.61 -56.76 1 5 1 49 334.447 4 ↓
Lo Low (pH 4.5-6) 3.38 13.06 -83.71 2 5 2 50 335.455 4 ↓

Analogs

6565199
6565199

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Popular Name: (4-fluorophenyl)-methyl-BLAHcarbonitrile (4-fluorophenyl)-methyl-BLAHcarb…

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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) 4.94 3 -17.33 0 4 0 44 342.377 1 ↓

Analogs

9489428
9489428

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Popular Name: cyclopentyl-methyl-BLAHcarbonitrile cyclopentyl-methyl-BLAHcarbonitrile

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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) 4.48 0.22 -15.68 0 4 0 44 316.408 1 ↓

Analogs

4170439
4170439

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Popular Name: methyl-sec-butyl-BLAHcarbonitrile methyl-sec-butyl-BLAHcarbonitrile

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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) 4.29 0.54 -16.59 0 4 0 44 304.397 2 ↓

Analogs

4170438
4170438

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Popular Name: methyl-sec-butyl-BLAHcarbonitrile methyl-sec-butyl-BLAHcarbonitrile

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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) 4.29 1.56 -16.2 0 4 0 44 304.397 2 ↓

Analogs

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Popular Name: isopentyl-methyl-BLAHcarbonitrile isopentyl-methyl-BLAHcarbonitrile

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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) 4.73 0.53 -16.21 0 4 0 44 318.424 3 ↓

Analogs

4170443
4170443

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Popular Name: methyl-(1-phenylethyl)BLAHcarbonitrile methyl-(1-phenylethyl)BLAHcarbon…

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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) 5.04 0.31 -17.98 0 4 0 44 352.441 2 ↓

Analogs

4170441
4170441

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Popular Name: methyl-(1-phenylethyl)BLAHcarbonitrile methyl-(1-phenylethyl)BLAHcarbon…

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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) 5.04 0.38 -17.94 0 4 0 44 352.441 2 ↓

Analogs

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Popular Name: isobutyl-methyl-BLAHcarbonitrile isobutyl-methyl-BLAHcarbonitrile

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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) 4.20 0.4 -16.23 0 4 0 44 304.397 2 ↓

Analogs

4170430
4170430

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Popular Name: methyl-propyl-BLAHcarbonitrile methyl-propyl-BLAHcarbonitrile

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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) 3.96 0.11 -16.41 0 4 0 44 290.37 2 ↓

Analogs

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Popular Name: isopropyl-methyl-BLAHcarbonitrile isopropyl-methyl-BLAHcarbonitrile

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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) 3.75 0.58 -16.42 0 4 0 44 290.37 1 ↓

Parameters Provided:

ring.id = 247038
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 = 247038 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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