UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-(2-aminophenyl)-N-cyclopropyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]acetamide 2-(2-aminophenyl)-N-cyclopropyl-…

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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) 1.76 5.71 -10.18 2 4 0 56 274.364 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-aminophenyl)-N-cyclopropyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]acetamide 2-(2-aminophenyl)-N-cyclopropyl-…

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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) 1.76 5.77 -10.47 2 4 0 56 274.364 5 ↓

Analogs

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Popular Name: (2R)-2-amino-N-cyclopropyl-2-phenyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]propanamide (2R)-2-amino-N-cyclopropyl-2-phe…

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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) 1.96 5.63 -8.01 2 4 0 56 288.391 5 ↓
Mid Mid (pH 6-8) 1.96 5.8 -51.34 3 4 1 57 289.399 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-N-cyclopropyl-2-phenyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]propanamide (2S)-2-amino-N-cyclopropyl-2-phe…

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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) 1.96 5.29 -8.24 2 4 0 56 288.391 5 ↓
Mid Mid (pH 6-8) 1.96 5.54 -48.25 3 4 1 57 289.399 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-N-cyclopropyl-2-phenyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]propanamide (2R)-2-amino-N-cyclopropyl-2-phe…

Find On: PubMed — Wikipedia — Google

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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) 1.96 4.63 -7.13 2 4 0 56 288.391 5 ↓
Mid Mid (pH 6-8) 1.96 5.4 -41.96 3 4 1 57 289.399 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-N-cyclopropyl-2-phenyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]propanamide (2S)-2-amino-N-cyclopropyl-2-phe…

Find On: PubMed — Wikipedia — Google

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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) 1.96 5.68 -9.38 2 4 0 56 288.391 5 ↓
Mid Mid (pH 6-8) 1.96 5.61 -46.78 3 4 1 57 289.399 5 ↓

Analogs

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Popular Name: 2-(3-aminophenyl)-N-cyclopropyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]acetamide 2-(3-aminophenyl)-N-cyclopropyl-…

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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) 1.37 5.63 -10.73 2 4 0 56 274.364 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-aminophenyl)-N-cyclopropyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]acetamide 2-(3-aminophenyl)-N-cyclopropyl-…

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) 1.37 5.68 -10.87 2 4 0 56 274.364 5 ↓

Analogs

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Popular Name: 2-(4-aminophenyl)-N-cyclopropyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]acetamide 2-(4-aminophenyl)-N-cyclopropyl-…

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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) 1.40 5.64 -10.58 2 4 0 56 274.364 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-aminophenyl)-N-cyclopropyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]acetamide 2-(4-aminophenyl)-N-cyclopropyl-…

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) 1.40 5.69 -10.67 2 4 0 56 274.364 5 ↓

Analogs

36320758
36320758
36320759
36320759
36785390
36785390
36785391
36785391
36785392
36785392

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-chloro-N-cyclopropyl-2-phenyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]acetamide (2S)-2-chloro-N-cyclopropyl-2-ph…

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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) 2.70 7.96 -8.75 0 3 0 30 293.794 5 ↓

Analogs

36320758
36320758
36320759
36320759
36785390
36785390
36785391
36785391
36785392
36785392

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-chloro-N-cyclopropyl-2-phenyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]acetamide (2R)-2-chloro-N-cyclopropyl-2-ph…

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) 2.70 8.22 -9.26 0 3 0 30 293.794 5 ↓

Analogs

36320758
36320758
36320759
36320759
36785390
36785390
36785391
36785391
36785392
36785392

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-chloro-N-cyclopropyl-2-phenyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]acetamide (2S)-2-chloro-N-cyclopropyl-2-ph…

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) 2.70 8.11 -8.75 0 3 0 30 293.794 5 ↓

Analogs

36320758
36320758
36320759
36320759
36785390
36785390
36785391
36785391
36785392
36785392

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-chloro-N-cyclopropyl-2-phenyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]acetamide (2R)-2-chloro-N-cyclopropyl-2-ph…

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) 2.70 8.19 -11.29 0 3 0 30 293.794 5 ↓

Parameters Provided:

ring.id = 14522
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 = 14522 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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