UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-amino-2-[(4-ethylcyclohexyl)methyl]isoindoline-1,3-dione 4-amino-2-[(4-ethylcyclohexyl)me…

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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 6.93 -7.95 2 4 0 65 286.375 3 ↓

Analogs

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Popular Name: 5-amino-2-[(4-ethylcyclohexyl)methyl]isoindoline-1,3-dione 5-amino-2-[(4-ethylcyclohexyl)me…

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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) 3.32 7.07 -8.02 2 4 0 65 286.375 3 ↓

Analogs

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Popular Name: 5-amino-2-[(1S)-1-cyclohexylethyl]isoindoline-1,3-dione 5-amino-2-[(1S)-1-cyclohexylethy…

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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) 3.23 6.86 -8.35 2 4 0 65 272.348 2 ↓

Analogs

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Popular Name: 5-amino-2-[(1R)-1-cyclohexylethyl]isoindoline-1,3-dione 5-amino-2-[(1R)-1-cyclohexylethy…

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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) 3.23 6.77 -8.27 2 4 0 65 272.348 2 ↓

Analogs

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Popular Name: 4-amino-2-[(1S)-1-cyclohexylpropyl]isoindoline-1,3-dione 4-amino-2-[(1S)-1-cyclohexylprop…

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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) 3.80 8 -8.05 2 4 0 65 286.375 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-[(1R)-1-cyclohexylpropyl]isoindoline-1,3-dione 4-amino-2-[(1R)-1-cyclohexylprop…

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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) 3.80 7.11 -7.67 2 4 0 65 286.375 3 ↓

Analogs

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Popular Name: 5-amino-2-[(1S)-1-cyclohexylpropyl]isoindoline-1,3-dione 5-amino-2-[(1S)-1-cyclohexylprop…

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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) 3.73 7.91 -8.18 2 4 0 65 286.375 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-[(1R)-1-cyclohexylpropyl]isoindoline-1,3-dione 5-amino-2-[(1R)-1-cyclohexylprop…

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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) 3.73 7.84 -8.14 2 4 0 65 286.375 3 ↓

Analogs

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Popular Name: 2-(cyclohexylmethyl)-1,3-dioxo-isoindoline-5-carboxylic 2-(cyclohexylmethyl)-1,3-dioxo-i…

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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) 3.70 8.49 -43.1 0 5 -1 79 286.307 3 ↓

Analogs

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Popular Name: 4-amino-2-[(1S)-1-cyclohexylethyl]isoindoline-1,3-dione 4-amino-2-[(1S)-1-cyclohexylethy…

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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) 3.30 6.94 -8.21 2 4 0 65 272.348 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-[(1R)-1-cyclohexylethyl]isoindoline-1,3-dione 4-amino-2-[(1R)-1-cyclohexylethy…

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) 3.30 6.87 -8.23 2 4 0 65 272.348 2 ↓

Parameters Provided:

ring.id = 14773
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 = 14773 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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