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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

32497126
32497126
32497125
32497125
32497031
32497031

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Popular Name: (1R)-N-cyclopropyl-N-methyl-1-(3-phenoxyphenyl)ethane-1,2-diamine (1R)-N-cyclopropyl-N-methyl-1-(3…

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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) 2.82 8.61 -113.8 4 3 2 41 284.403 6 ↓
Hi High (pH 8-9.5) 2.82 8.24 -33.94 3 3 1 40 283.395 6 ↓
Mid Mid (pH 6-8) 2.82 6.69 -43.44 3 3 1 40 283.395 6 ↓

Analogs

32497126
32497126
32497125
32497125
32497031
32497031

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-cyclopropyl-N-methyl-1-(3-phenoxyphenyl)ethane-1,2-diamine (1S)-N-cyclopropyl-N-methyl-1-(3…

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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) 2.82 8.34 -125.77 4 3 2 41 284.403 6 ↓
Hi High (pH 8-9.5) 2.82 9.01 -31.33 3 3 1 40 283.395 6 ↓
Mid Mid (pH 6-8) 2.82 6.55 -43.35 3 3 1 40 283.395 6 ↓

Analogs

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Popular Name: N-[[3-[3-(methoxymethyl)phenoxy]phenyl]methyl]cyclopropanamine N-[[3-[3-(methoxymethyl)phenoxy]…

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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) 3.52 8.55 -40.14 2 3 1 35 284.379 7 ↓

Analogs

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Popular Name: (2S)-2-(cyclopropylamino)-2-(3-phenoxyphenyl)acetic (2S)-2-(cyclopropylamino)-2-(3-p…

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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) 3.02 9.46 -33.02 2 4 0 66 283.327 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(cyclopropylamino)-2-(3-phenoxyphenyl)acetic (2R)-2-(cyclopropylamino)-2-(3-p…

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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) 3.02 9.54 -34.57 2 4 0 66 283.327 6 ↓

Analogs

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Popular Name: (2S)-2-(cyclopropylamino)-2-(3-phenoxyphenyl)acetonitrile (2S)-2-(cyclopropylamino)-2-(3-p…

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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) 3.56 8.13 -6.73 1 3 0 45 264.328 5 ↓
Mid Mid (pH 6-8) 3.56 9.14 -46.71 2 3 1 50 265.336 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(cyclopropylamino)-2-(3-phenoxyphenyl)acetonitrile (2R)-2-(cyclopropylamino)-2-(3-p…

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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) 3.56 8.15 -7.93 1 3 0 45 264.328 5 ↓
Mid Mid (pH 6-8) 3.56 9.16 -49 2 3 1 50 265.336 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(cyclopropylamino)-2-(3-phenoxyphenyl)ethanol (2S)-2-(cyclopropylamino)-2-(3-p…

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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) 3.14 6.37 -37.75 3 3 1 46 270.352 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(cyclopropylamino)-2-(3-phenoxyphenyl)ethanol (2R)-2-(cyclopropylamino)-2-(3-p…

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) 3.14 6.38 -38.41 3 3 1 46 270.352 6 ↓

Parameters Provided:

ring.id = 138428
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 = 138428 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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