UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

40979369
40979369
44257721
44257721
44257725
44257725
44257729
44257729
44257733
44257733

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Popular Name: (2S)-N-[(R)-cyclopropyl(phenyl)methyl]-4-phenyl-butan-2-amine (2S)-N-[(R)-cyclopropyl(phenyl)m…

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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 12.19 -39.38 2 1 1 17 280.435 7 ↓

Analogs

40979369
40979369
44257721
44257721
44257725
44257725
44257729
44257729
44257733
44257733

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(R)-cyclopropyl(phenyl)methyl]-4-phenyl-butan-2-amine (2R)-N-[(R)-cyclopropyl(phenyl)m…

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) 5.20 12.21 -39.18 2 1 1 17 280.435 7 ↓

Analogs

40979369
40979369
44257721
44257721
44257725
44257725
44257729
44257729
44257733
44257733

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(S)-cyclopropyl(phenyl)methyl]-4-phenyl-butan-2-amine (2S)-N-[(S)-cyclopropyl(phenyl)m…

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) 5.20 12.44 -39.11 2 1 1 17 280.435 7 ↓

Analogs

40979369
40979369
44257721
44257721
44257725
44257725
44257729
44257729
44257733
44257733

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(S)-cyclopropyl(phenyl)methyl]-4-phenyl-butan-2-amine (2R)-N-[(S)-cyclopropyl(phenyl)m…

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) 5.20 12.15 -39.63 2 1 1 17 280.435 7 ↓

Analogs

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Popular Name: N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-3-phenyl-propan-1-amine N-[(R)-cyclopropyl-(4-fluorophen…

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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) 5.04 11.73 -46.64 2 1 1 17 284.398 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-cyclopropyl-(4-fluorophenyl)methyl]-3-phenyl-propan-1-amine N-[(S)-cyclopropyl-(4-fluorophen…

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) 5.04 11.96 -46.28 2 1 1 17 284.398 7 ↓

Parameters Provided:

ring.id = 135569
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 = 135569 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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