UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-(4-aminophenyl)-N-cyclopropyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]propanamide 3-(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) 1.91 6.44 -9.04 2 4 0 56 288.391 6 ↓

Analogs

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Popular Name: 3-(4-aminophenyl)-N-cyclopropyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]propanamide 3-(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) 1.91 6.48 -9.3 2 4 0 56 288.391 6 ↓

Analogs

35661388
35661388
35661389
35661389

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Popular Name: (2S)-2-amino-N-cyclopropyl-3-phenyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]propanamide (2S)-2-amino-N-cyclopropyl-3-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) 1.18 5.6 -43.19 3 4 1 57 289.399 6 ↓
Mid Mid (pH 6-8) 1.18 5.29 -7.1 2 4 0 56 288.391 6 ↓

Analogs

35661388
35661388
35661389
35661389

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-N-cyclopropyl-3-phenyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]propanamide (2R)-2-amino-N-cyclopropyl-3-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) 1.18 5.81 -45.81 3 4 1 57 289.399 6 ↓
Mid Mid (pH 6-8) 1.18 5.48 -8.54 2 4 0 56 288.391 6 ↓

Analogs

35661388
35661388
35661389
35661389

Draw Identity 99% 90% 80% 70%

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

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) 1.18 5.34 -40.53 3 4 1 57 289.399 6 ↓
Mid Mid (pH 6-8) 1.18 5.07 -9 2 4 0 56 288.391 6 ↓

Analogs

35661388
35661388
35661389
35661389

Draw Identity 99% 90% 80% 70%

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

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) 1.18 5.85 -41.67 3 4 1 57 289.399 6 ↓
Mid Mid (pH 6-8) 1.18 5.55 -9.99 2 4 0 56 288.391 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) -0.10 6.04 -43.42 3 4 1 57 289.399 6 ↓
Hi High (pH 8-9.5) -0.10 5.69 -8.7 2 4 0 56 288.391 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) -0.10 6 -44.22 3 4 1 57 289.399 6 ↓
Hi High (pH 8-9.5) -0.10 5.68 -7.96 2 4 0 56 288.391 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) -0.10 6.09 -41.01 3 4 1 57 289.399 6 ↓
Hi High (pH 8-9.5) -0.10 5.73 -8.81 2 4 0 56 288.391 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) -0.10 5.99 -40.37 3 4 1 57 289.399 6 ↓
Hi High (pH 8-9.5) -0.10 5.66 -7.98 2 4 0 56 288.391 6 ↓

Parameters Provided:

ring.id = 14623
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 = 14623 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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