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) 7.62 15.27 -11.69 0 4 0 47 488.798 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) 7.59 15.54 -9.61 0 4 0 47 488.798 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) 8.36 16.94 -9.4 0 4 0 47 496.434 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) 8.37 16.67 -11.32 0 4 0 47 496.434 9 ↓

Analogs

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Popular Name: (E)-N-benzyl-3-(2-methoxyphenyl)-N-(3-nitrophenyl)acrylamide (E)-N-benzyl-3-(2-methoxyphenyl)…

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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) 4.88 3.07 -20.35 0 6 0 75 388.423 7 ↓

Analogs

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Popular Name: (E)-N-[3-[2-(allylamino)-2-oxo-ethyl]phenyl]-N-benzyl-3-phenyl-prop-2-enamide (E)-N-[3-[2-(allylamino)-2-oxo-e…

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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) 5.02 13.38 -15.29 1 4 0 49 410.517 9 ↓

Analogs

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Popular Name: (E)-N-benzyl-N-[3-[2-(isopropylamino)-2-oxo-ethyl]phenyl]-3-phenyl-prop-2-enamide (E)-N-benzyl-N-[3-[2-(isopropyla…

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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) 5.05 13.63 -15.48 1 4 0 49 412.533 8 ↓

Analogs

35854088
35854088

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Popular Name: (E)-N-benzyl-N-[3-[2-oxo-2-(propylamino)ethyl]phenyl]-3-phenyl-prop-2-enamide (E)-N-benzyl-N-[3-[2-oxo-2-(prop…

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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) 5.25 13.59 -15.56 1 4 0 49 412.533 9 ↓

Analogs

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Popular Name: 2-[3-[(4-fluorophenyl)methyl-[(E)-3-phenylprop-2-enoyl]amino]phenyl]acetic 2-[3-[(4-fluorophenyl)methyl-[(E…

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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) 4.68 14.43 -58.47 0 4 -1 60 388.418 7 ↓

Analogs

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Popular Name: (E)-N-[3-[2-(ethylamino)-2-oxo-ethyl]phenyl]-3-phenyl-N-(p-tolylmethyl)prop-2-enamide (E)-N-[3-[2-(ethylamino)-2-oxo-e…

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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) 5.20 13.5 -15.76 1 4 0 49 412.533 8 ↓

Analogs

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Popular Name: (E)-N-[3-[2-(allylamino)-2-oxo-ethyl]phenyl]-3-phenyl-N-(p-tolylmethyl)prop-2-enamide (E)-N-[3-[2-(allylamino)-2-oxo-e…

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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) 5.47 14.06 -15.47 1 4 0 49 424.544 9 ↓

Analogs

35854279
35854279

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Popular Name: (E)-N-[3-[2-(ethylamino)-2-oxo-ethyl]phenyl]-N-[(4-fluorophenyl)methyl]-3-phenyl-prop-2-enamide (E)-N-[3-[2-(ethylamino)-2-oxo-e…

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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) 4.91 12.89 -16.35 1 4 0 49 416.496 8 ↓

Parameters Provided:

ring.id = 120505
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 = 120505 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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