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

Analogs

15735415
15735415
15735417
15735417

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Popular Name: (4-ethoxyphenyl)-N-isopentyl-BLAHcarboxamide (4-ethoxyphenyl)-N-isopentyl-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) 7.25 14.75 -11.19 1 5 0 47 477.674 6 ↓

Analogs

15735415
15735415
15735417
15735417

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Popular Name: (4-ethoxyphenyl)-N-isopentyl-BLAHcarboxamide (4-ethoxyphenyl)-N-isopentyl-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) 7.25 14.75 -10.64 1 5 0 47 477.674 6 ↓

Analogs

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Popular Name: N-isopentyl-(4-methylsulfanylphenyl)BLAHcarboxamide N-isopentyl-(4-methylsulfanylphe…

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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) 7.25 15.52 -10.83 1 4 0 37 479.715 5 ↓

Analogs

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Popular Name: N-isopentyl-(4-methylsulfanylphenyl)BLAHcarboxamide N-isopentyl-(4-methylsulfanylphe…

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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) 7.25 15.54 -10.27 1 4 0 37 479.715 5 ↓

Analogs

15735343
15735343
15735345
15735345
15735366
15735366

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Popular Name: (4-isopropylphenyl)-N-propyl-BLAHcarboxamide (4-isopropylphenyl)-N-propyl-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) 7.55 15.13 -10.27 1 4 0 37 447.648 4 ↓

Analogs

15735343
15735343
15735345
15735345
15735366
15735366

Draw Identity 99% 90% 80% 70%

Popular Name: (4-isopropylphenyl)-N-propyl-BLAHcarboxamide (4-isopropylphenyl)-N-propyl-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) 7.55 15.18 -10.18 1 4 0 37 447.648 4 ↓

Analogs

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Popular Name: N-isopropyl-(4-isopropylphenyl)BLAHcarboxamide N-isopropyl-(4-isopropylphenyl)B…

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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) 7.35 15.23 -10.41 1 4 0 37 447.648 3 ↓

Analogs

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Popular Name: N-isopropyl-(4-isopropylphenyl)BLAHcarboxamide N-isopropyl-(4-isopropylphenyl)B…

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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) 7.35 15.23 -10.37 1 4 0 37 447.648 3 ↓

Analogs

15735347
15735347
15735348
15735348

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Popular Name: N-isopentyl-(p-tolyl)BLAHcarboxamide N-isopentyl-(p-tolyl)BLAHcarboxa…

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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) 7.26 15.19 -10.46 1 4 0 37 447.648 4 ↓

Analogs

15735347
15735347
15735348
15735348

Draw Identity 99% 90% 80% 70%

Popular Name: N-isopentyl-(p-tolyl)BLAHcarboxamide N-isopentyl-(p-tolyl)BLAHcarboxa…

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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) 7.26 15.19 -10.44 1 4 0 37 447.648 4 ↓

Analogs

15735437
15735437
15735439
15735439

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Popular Name: (3,5-difluorophenyl)-N-isopentyl-BLAHcarboxamide (3,5-difluorophenyl)-N-isopentyl…

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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) 7.07 14.61 -9.15 1 4 0 37 469.601 4 ↓

Analogs

15735437
15735437
15735439
15735439

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Popular Name: (3,5-difluorophenyl)-N-isopentyl-BLAHcarboxamide (3,5-difluorophenyl)-N-isopentyl…

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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) 7.07 14.63 -9.13 1 4 0 37 469.601 4 ↓

Analogs

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Popular Name: (3-fluorophenyl)-N-isopentyl-BLAHcarboxamide (3-fluorophenyl)-N-isopentyl-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) 6.96 14.54 -10.05 1 4 0 37 451.611 4 ↓

Analogs

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Popular Name: (3-fluorophenyl)-N-isopentyl-BLAHcarboxamide (3-fluorophenyl)-N-isopentyl-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) 6.96 14.56 -10 1 4 0 37 451.611 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-ethoxyphenyl)-N-isopentyl-BLAHcarboxamide (3-ethoxyphenyl)-N-isopentyl-BLA…

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Activity (Go SEA)

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) 7.23 14.74 -11.48 1 5 0 47 477.674 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-ethoxyphenyl)-N-isopentyl-BLAHcarboxamide (3-ethoxyphenyl)-N-isopentyl-BLA…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 7.23 14.75 -12.21 1 5 0 47 477.674 6 ↓

Analogs

15735347
15735347
15735348
15735348

Draw Identity 99% 90% 80% 70%

Popular Name: N-isopentyl-(m-tolyl)BLAHcarboxamide N-isopentyl-(m-tolyl)BLAHcarboxa…

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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) 7.24 15.16 -10.67 1 4 0 37 447.648 4 ↓

Analogs

15735347
15735347
15735348
15735348

Draw Identity 99% 90% 80% 70%

Popular Name: N-isopentyl-(m-tolyl)BLAHcarboxamide N-isopentyl-(m-tolyl)BLAHcarboxa…

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Activity (Go SEA)

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) 7.24 15.18 -10.38 1 4 0 37 447.648 4 ↓

Parameters Provided:

ring.id = 91720
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 = 91720 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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