UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

34937104
34937104
34937105
34937105
34937106
34937106
34937107
34937107

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Popular Name: (2S)-2-[[(1S)-1-cyclohexylethyl]amino]-N-(2-furylmethyl)propanamide (2S)-2-[[(1S)-1-cyclohexylethyl]…

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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) 2.81 6.19 -37.43 3 4 1 59 279.404 6 ↓

Analogs

34937104
34937104
34937105
34937105
34937106
34937106
34937107
34937107

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(1R)-1-cyclohexylethyl]amino]-N-(2-furylmethyl)propanamide (2S)-2-[[(1R)-1-cyclohexylethyl]…

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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) 2.81 6.17 -37.95 3 4 1 59 279.404 6 ↓

Analogs

34937104
34937104
34937105
34937105
34937106
34937106
34937107
34937107

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[(1S)-1-cyclohexylethyl]amino]-N-(2-furylmethyl)propanamide (2R)-2-[[(1S)-1-cyclohexylethyl]…

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) 2.81 6.04 -37.24 3 4 1 59 279.404 6 ↓

Analogs

34937104
34937104
34937105
34937105
34937106
34937106
34937107
34937107

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[(1R)-1-cyclohexylethyl]amino]-N-(2-furylmethyl)propanamide (2R)-2-[[(1R)-1-cyclohexylethyl]…

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) 2.81 6.19 -37.45 3 4 1 59 279.404 6 ↓

Analogs

34937104
34937104
34937105
34937105
34937106
34937106
34937107
34937107

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(1S)-1-cyclohexylpropyl]amino]-N-(2-furylmethyl)propanamide (2S)-2-[[(1S)-1-cyclohexylpropyl…

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) 3.34 6.69 -37.47 3 4 1 59 293.431 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(1R)-1-cyclohexylpropyl]amino]-N-(2-furylmethyl)propanamide (2S)-2-[[(1R)-1-cyclohexylpropyl…

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) 3.34 6.72 -35.83 3 4 1 59 293.431 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[(1S)-1-cyclohexylpropyl]amino]-N-(2-furylmethyl)propanamide (2R)-2-[[(1S)-1-cyclohexylpropyl…

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) 3.34 6.87 -36.62 3 4 1 59 293.431 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[(1R)-1-cyclohexylpropyl]amino]-N-(2-furylmethyl)propanamide (2R)-2-[[(1R)-1-cyclohexylpropyl…

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) 3.34 6.51 -38.14 3 4 1 59 293.431 7 ↓

Analogs

42863418
42863418
42863420
42863420
42863423
42863423
42863425
42863425
45630470
45630470

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(cyclohexylmethylamino)-N-(2-furylmethyl)propanamide (2S)-2-(cyclohexylmethylamino)-N…

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) 2.48 5.81 -40.29 3 4 1 59 265.377 6 ↓

Analogs

42863418
42863418
42863420
42863420
42863423
42863423
42863425
42863425
45630470
45630470

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(cyclohexylmethylamino)-N-(2-furylmethyl)propanamide (2R)-2-(cyclohexylmethylamino)-N…

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) 2.48 5.81 -40.46 3 4 1 59 265.377 6 ↓

Parameters Provided:

ring.id = 221359
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 = 221359 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=221359&filter.purchasability=annotated

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