UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (1R,2S)-N-[2-(ethylsulfonylamino)ethyl]-2-(1-naphthyl)cyclopropanecarboxamide (1R,2S)-N-[2-(ethylsulfonylamino…

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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) 2.32 4.69 -19.36 2 5 0 75 346.452 7 ↓

Analogs

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Popular Name: (1S,2S)-N-[2-(ethylsulfonylamino)ethyl]-2-(1-naphthyl)cyclopropanecarboxamide (1S,2S)-N-[2-(ethylsulfonylamino…

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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) 2.32 4.78 -19.09 2 5 0 75 346.452 7 ↓

Analogs

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Popular Name: (1R,2R)-N-[2-(ethylsulfonylamino)ethyl]-2-(1-naphthyl)cyclopropanecarboxamide (1R,2R)-N-[2-(ethylsulfonylamino…

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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) 2.32 4.78 -19.53 2 5 0 75 346.452 7 ↓

Analogs

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Popular Name: (1S,2R)-N-[2-(ethylsulfonylamino)ethyl]-2-(1-naphthyl)cyclopropanecarboxamide (1S,2R)-N-[2-(ethylsulfonylamino…

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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) 2.32 4.69 -19.06 2 5 0 75 346.452 7 ↓

Analogs

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Popular Name: 5-[[1-(1-naphthyl)cyclopropyl]amino]-5-oxo-pentanoic 5-[[1-(1-naphthyl)cyclopropyl]am…

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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) 2.90 9.03 -56.31 1 4 -1 69 296.346 6 ↓

Analogs

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Popular Name: 4-[[1-(1-naphthyl)cyclopropyl]amino]-4-oxo-butanoic 4-[[1-(1-naphthyl)cyclopropyl]am…

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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) 2.40 8.24 -48.85 1 4 -1 69 282.319 5 ↓
Lo Low (pH 4.5-6) 2.40 6.27 -10.38 2 4 0 66 283.327 5 ↓

Analogs

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Popular Name: 1-[(1R,2S)-2-(2-methoxy-1-naphthyl)cyclopropyl]ethanone 1-[(1R,2S)-2-(2-methoxy-1-naphth…

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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) 3.23 8.59 -9.53 0 2 0 26 240.302 3 ↓

Analogs

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Popular Name: 1-[(1S,2S)-2-(2-methoxy-1-naphthyl)cyclopropyl]ethanone 1-[(1S,2S)-2-(2-methoxy-1-naphth…

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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) 3.23 8.76 -8.1 0 2 0 26 240.302 3 ↓

Analogs

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Popular Name: 1-[(1R,2R)-2-(2-methoxy-1-naphthyl)cyclopropyl]ethanone 1-[(1R,2R)-2-(2-methoxy-1-naphth…

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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) 3.23 8.77 -8.18 0 2 0 26 240.302 3 ↓

Analogs

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Popular Name: 1-[(1S,2R)-2-(2-methoxy-1-naphthyl)cyclopropyl]ethanone 1-[(1S,2R)-2-(2-methoxy-1-naphth…

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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) 3.23 8.6 -9.59 0 2 0 26 240.302 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[(1R,2S)-2-(2-methoxy-1-naphthyl)cyclopropyl]ethanamine (1S)-1-[(1R,2S)-2-(2-methoxy-1-n…

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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 7 -31.99 3 2 1 37 242.342 3 ↓

Analogs

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Popular Name: (1R)-1-[(1R,2S)-2-(2-methoxy-1-naphthyl)cyclopropyl]ethanamine (1R)-1-[(1R,2S)-2-(2-methoxy-1-n…

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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 6.87 -32.19 3 2 1 37 242.342 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[(1S,2S)-2-(2-methoxy-1-naphthyl)cyclopropyl]ethanamine (1S)-1-[(1S,2S)-2-(2-methoxy-1-n…

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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 7.09 -45.77 3 2 1 37 242.342 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[(1S,2S)-2-(2-methoxy-1-naphthyl)cyclopropyl]ethanamine (1R)-1-[(1S,2S)-2-(2-methoxy-1-n…

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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 7.08 -45.44 3 2 1 37 242.342 3 ↓

Analogs

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Popular Name: 2-(naphthalen-1-yl)cyclopropane-1-carboxylic acid 2-(naphthalen-1-yl)cyclopropane-…

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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) 2.92 9.12 -49.3 0 2 -1 40 211.24 2 ↓
Lo Low (pH 4.5-6) 2.92 7.06 -8.13 1 2 0 37 212.248 2 ↓

Analogs

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Popular Name: 2-(naphthalen-1-yl)cyclopropane-1-carboxylic acid 2-(naphthalen-1-yl)cyclopropane-…

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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) 2.92 9.33 -50.72 0 2 -1 40 211.24 2 ↓
Lo Low (pH 4.5-6) 2.92 7.35 -7.86 1 2 0 37 212.248 2 ↓

Analogs

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Popular Name: 2-(naphthalen-1-yl)cyclopropane-1-carboxylic acid 2-(naphthalen-1-yl)cyclopropane-…

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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) 2.92 9.34 -51.06 0 2 -1 40 211.24 2 ↓
Lo Low (pH 4.5-6) 2.92 7.35 -7.86 1 2 0 37 212.248 2 ↓

Analogs

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Popular Name: 2-(naphthalen-1-yl)cyclopropane-1-carboxylic acid 2-(naphthalen-1-yl)cyclopropane-…

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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) 2.92 9.07 -48.25 0 2 -1 40 211.24 2 ↓
Lo Low (pH 4.5-6) 2.92 7.06 -8.14 1 2 0 37 212.248 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(2-methoxy-1-naphthyl)cyclopropanecarboxylic (1S,2R)-2-(2-methoxy-1-naphthyl)…

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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) 2.93 9.23 -50.95 0 3 -1 49 241.266 3 ↓
Lo Low (pH 4.5-6) 2.93 6.57 -8.65 1 3 0 47 242.274 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(2-methoxy-1-naphthyl)cyclopropanecarboxylic (1S,2S)-2-(2-methoxy-1-naphthyl)…

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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) 2.93 8.82 -55.37 0 3 -1 49 241.266 3 ↓
Lo Low (pH 4.5-6) 2.93 6.83 -8.13 1 3 0 47 242.274 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(2-methoxy-1-naphthyl)cyclopropanecarboxylic (1R,2R)-2-(2-methoxy-1-naphthyl)…

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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) 2.93 8.83 -56.02 0 3 -1 49 241.266 3 ↓
Lo Low (pH 4.5-6) 2.93 6.83 -8.16 1 3 0 47 242.274 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(2-methoxy-1-naphthyl)cyclopropanecarboxylic (1R,2S)-2-(2-methoxy-1-naphthyl)…

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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) 2.93 8.66 -53.12 0 3 -1 49 241.266 3 ↓
Lo Low (pH 4.5-6) 2.93 6.8 -8.82 1 3 0 47 242.274 3 ↓

Analogs

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Popular Name: 2-(naphthalen-1-yl)cyclopropan-1-amine hydrochloride 2-(naphthalen-1-yl)cyclopropan-1…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KDM1A-1-E Lysine-specific Histone Demethylase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 8000 0.51 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KDM1A_HUMAN O60341 Lysine-specific Histone Demethylase 1, Human 8000 0.51 Binding ≤ 10μM

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) 2.58 6.19 -42.17 3 1 1 28 184.262 1 ↓
Hi High (pH 8-9.5) 2.58 5.91 -3.46 2 1 0 26 183.254 1 ↓

Analogs

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Popular Name: 2-(naphthalen-1-yl)cyclopropan-1-amine hydrochloride 2-(naphthalen-1-yl)cyclopropan-1…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KDM1A-1-E Lysine-specific Histone Demethylase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 8000 0.51 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KDM1A_HUMAN O60341 Lysine-specific Histone Demethylase 1, Human 8000 0.51 Binding ≤ 10μM

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) 2.58 6.03 -47.01 3 1 1 28 184.262 1 ↓
Hi High (pH 8-9.5) 2.58 5.71 -3.86 2 1 0 26 183.254 1 ↓

Analogs

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Popular Name: 2-(naphthalen-1-yl)cyclopropan-1-amine hydrochloride 2-(naphthalen-1-yl)cyclopropan-1…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KDM1A-1-E Lysine-specific Histone Demethylase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 8000 0.51 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KDM1A_HUMAN O60341 Lysine-specific Histone Demethylase 1, Human 8000 0.51 Binding ≤ 10μM

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) 2.58 6.19 -42.16 3 1 1 28 184.262 1 ↓
Hi High (pH 8-9.5) 2.58 5.89 -4.66 2 1 0 26 183.254 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(2-methoxy-1-naphthyl)cyclopropanamine (1S,2S)-2-(2-methoxy-1-naphthyl)…

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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) 2.59 5.71 -36.45 3 2 1 37 214.288 2 ↓
Hi High (pH 8-9.5) 2.59 5.37 -5.37 2 2 0 35 213.28 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(2-methoxy-1-naphthyl)cyclopropanamine (1S,2R)-2-(2-methoxy-1-naphthyl)…

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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) 2.59 5.48 -45.67 3 2 1 37 214.288 2 ↓
Hi High (pH 8-9.5) 2.59 5.15 -5.23 2 2 0 35 213.28 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(2-methoxy-1-naphthyl)cyclopropanamine (1R,2S)-2-(2-methoxy-1-naphthyl)…

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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) 2.59 5.49 -45.67 3 2 1 37 214.288 2 ↓
Hi High (pH 8-9.5) 2.59 5.15 -5.15 2 2 0 35 213.28 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(2-methoxy-1-naphthyl)cyclopropanamine (1R,2R)-2-(2-methoxy-1-naphthyl)…

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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) 2.59 5.7 -36.52 3 2 1 37 214.288 2 ↓
Hi High (pH 8-9.5) 2.59 5.44 -4.6 2 2 0 35 213.28 2 ↓

Parameters Provided:

ring.id = 442086
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 = 442086 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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