UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[[2-fluoro-4-(2-fluorophenyl)phenyl]methyl]cyclopropanamine N-[[2-fluoro-4-(2-fluorophenyl)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) 3.86 9.66 -35.85 2 1 1 17 260.307 4 ↓

Analogs

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Popular Name: N-[[4-(2-fluorophenyl)phenyl]methyl]cyclopropanamine N-[[4-(2-fluorophenyl)phenyl]met…

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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) 3.77 9.61 -38.64 2 1 1 17 242.317 4 ↓

Analogs

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Popular Name: N-[[4-(2,3-dimethylphenyl)-2-fluoro-phenyl]methyl]cyclopropanamine N-[[4-(2,3-dimethylphenyl)-2-flu…

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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) 4.55 10.72 -36.6 2 1 1 17 270.371 4 ↓

Analogs

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Popular Name: N-[[4-(2,3-dimethylphenyl)phenyl]methyl]cyclopropanamine N-[[4-(2,3-dimethylphenyl)phenyl…

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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) 4.46 10.67 -38.61 2 1 1 17 252.381 4 ↓

Analogs

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Popular Name: N-[[4-[2-(aminomethyl)phenyl]phenyl]methyl]-N-ethyl-cyclopropanamine N-[[4-[2-(aminomethyl)phenyl]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) 3.41 9.83 -89.24 4 2 2 32 282.431 6 ↓
Hi High (pH 8-9.5) 3.41 9.45 -32.43 3 2 1 30 281.423 6 ↓

Analogs

38860368
38860368

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Popular Name: (1R)-N-cyclopropyl-N-ethyl-1-(4-phenylphenyl)ethane-1,2-diamine (1R)-N-cyclopropyl-N-ethyl-1-(4-…

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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) 3.27 9.29 -122.77 4 2 2 32 282.431 6 ↓
Mid Mid (pH 6-8) 3.27 7.7 -46.39 3 2 1 31 281.423 6 ↓
Mid Mid (pH 6-8) 3.27 8.95 -30.58 3 2 1 30 281.423 6 ↓

Analogs

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Popular Name: (1S)-N-cyclopropyl-N-ethyl-1-(4-phenylphenyl)ethane-1,2-diamine (1S)-N-cyclopropyl-N-ethyl-1-(4-…

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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) 3.27 9.93 -118.14 4 2 2 32 282.431 6 ↓
Mid Mid (pH 6-8) 3.27 7.49 -48.04 3 2 1 31 281.423 6 ↓
Mid Mid (pH 6-8) 3.27 9.88 -30.22 3 2 1 30 281.423 6 ↓

Analogs

46602527
46602527
12769449
12769449

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Popular Name: N-[[4-[2-(aminomethyl)phenyl]phenyl]methyl]-N-methyl-cyclopropanamine N-[[4-[2-(aminomethyl)phenyl]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) 3.04 9.22 -89.65 4 2 2 32 268.404 5 ↓
Hi High (pH 8-9.5) 3.04 8.85 -33.5 3 2 1 30 267.396 5 ↓

Analogs

38860368
38860368

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Popular Name: (1R)-N-cyclopropyl-N-methyl-1-(4-phenylphenyl)ethane-1,2-diamine (1R)-N-cyclopropyl-N-methyl-1-(4…

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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) 2.89 8.72 -125.17 4 2 2 32 268.404 5 ↓
Mid Mid (pH 6-8) 2.89 7.21 -47 3 2 1 31 267.396 5 ↓
Mid Mid (pH 6-8) 2.89 9.24 -30.81 3 2 1 30 267.396 5 ↓

Analogs

38860368
38860368

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Popular Name: (1S)-N-cyclopropyl-N-methyl-1-(4-phenylphenyl)ethane-1,2-diamine (1S)-N-cyclopropyl-N-methyl-1-(4…

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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) 2.89 9.13 -117.13 4 2 2 32 268.404 5 ↓
Mid Mid (pH 6-8) 2.89 7.24 -44.16 3 2 1 31 267.396 5 ↓
Mid Mid (pH 6-8) 2.89 8.77 -33.85 3 2 1 30 267.396 5 ↓

Analogs

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Popular Name: 2-[4-[[cyclopropyl(methyl)amino]methyl]phenyl]benzenecarbothioamide 2-[4-[[cyclopropyl(methyl)amino]…

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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) 3.65 10.26 -36.44 3 2 1 30 297.447 5 ↓

Analogs

19504006
19504006

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Popular Name: 2-[4-[[cyclopropyl(methyl)amino]methyl]phenyl]benzamidine 2-[4-[[cyclopropyl(methyl)amino]…

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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) 2.24 8.55 -81.91 5 3 2 56 281.403 5 ↓

Analogs

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Popular Name: N-[[2-fluoro-4-(3,4,5-trifluorophenyl)phenyl]methyl]cyclopropanamine N-[[2-fluoro-4-(3,4,5-trifluorop…

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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) 4.10 9.62 -42.67 2 1 1 17 296.287 4 ↓

Analogs

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Popular Name: N-[[4-(3,4,5-trifluorophenyl)phenyl]methyl]cyclopropanamine N-[[4-(3,4,5-trifluorophenyl)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) 4.00 9.57 -44.23 2 1 1 17 278.297 4 ↓

Analogs

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Popular Name: N-[[4-(2,3-difluorophenyl)phenyl]methyl]cyclopropanamine N-[[4-(2,3-difluorophenyl)phenyl…

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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) 3.89 9.67 -42.56 2 1 1 17 260.307 4 ↓

Analogs

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Popular Name: N-[[4-(2,3-difluorophenyl)-2-fluoro-phenyl]methyl]cyclopropanamine N-[[4-(2,3-difluorophenyl)-2-flu…

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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) 3.98 9.72 -41.79 2 1 1 17 278.297 4 ↓
Hi High (pH 8-9.5) 3.98 8.4 -9.15 1 1 0 12 277.289 4 ↓

Analogs

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Popular Name: N-[[4-(3-nitrophenyl)phenyl]methyl]cyclopropanamine N-[[4-(3-nitrophenyl)phenyl]meth…

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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) 3.59 10.09 -45.4 2 4 1 62 269.324 5 ↓

Analogs

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Popular Name: (2R)-2-(cyclopropylamino)-2-(4-phenylphenyl)propanoic (2R)-2-(cyclopropylamino)-2-(4-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) 3.53 10.24 -33.57 2 3 0 57 281.355 5 ↓

Analogs

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Popular Name: (2S)-2-(cyclopropylamino)-2-(4-phenylphenyl)propanoic (2S)-2-(cyclopropylamino)-2-(4-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) 3.53 10.31 -34.67 2 3 0 57 281.355 5 ↓

Analogs

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Popular Name: (2S)-2-(cyclopropylamino)-2-(4-phenylphenyl)acetic (2S)-2-(cyclopropylamino)-2-(4-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) 3.09 10.03 -31.99 2 3 0 57 267.328 5 ↓

Analogs

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Popular Name: (2R)-2-(cyclopropylamino)-2-(4-phenylphenyl)acetic (2R)-2-(cyclopropylamino)-2-(4-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) 3.09 10 -32.71 2 3 0 57 267.328 5 ↓

Analogs

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Popular Name: (2S)-2-(cyclopropylamino)-2-(4-phenylphenyl)propan-1-ol (2S)-2-(cyclopropylamino)-2-(4-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) 3.66 7.21 -34.39 3 2 1 37 268.38 5 ↓

Analogs

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Popular Name: (2R)-2-(cyclopropylamino)-2-(4-phenylphenyl)propan-1-ol (2R)-2-(cyclopropylamino)-2-(4-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) 3.66 7.18 -34.7 3 2 1 37 268.38 5 ↓

Analogs

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Popular Name: (2S)-2-(cyclopropylamino)-2-(4-phenylphenyl)ethanol (2S)-2-(cyclopropylamino)-2-(4-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) 3.21 6.87 -36.55 3 2 1 37 254.353 5 ↓

Analogs

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Popular Name: (2R)-2-(cyclopropylamino)-2-(4-phenylphenyl)ethanol (2R)-2-(cyclopropylamino)-2-(4-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) 3.21 6.87 -36.52 3 2 1 37 254.353 5 ↓

Parameters Provided:

ring.id = 31332
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 = 31332 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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