UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

45629531
45629531
45629532
45629532
45629533
45629533
45629534
45629534

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(1S)-cyclohex-3-en-1-yl]-2-(cyclopropylamino)acetonitrile (2S)-2-[(1S)-cyclohex-3-en-1-yl]…

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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) 2.04 5.23 -3.71 1 2 0 36 176.263 3 ↓
Mid Mid (pH 6-8) 2.04 6.19 -44.78 2 2 1 40 177.271 3 ↓

Analogs

45629531
45629531
45629532
45629532
45629533
45629533
45629534
45629534

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(1R)-cyclohex-3-en-1-yl]-2-(cyclopropylamino)acetonitrile (2S)-2-[(1R)-cyclohex-3-en-1-yl]…

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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) 2.04 5.02 -4.4 1 2 0 36 176.263 3 ↓
Mid Mid (pH 6-8) 2.04 6.05 -45.98 2 2 1 40 177.271 3 ↓

Analogs

45629531
45629531
45629532
45629532
45629533
45629533
45629534
45629534

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(1S)-cyclohex-3-en-1-yl]-2-(cyclopropylamino)acetonitrile (2R)-2-[(1S)-cyclohex-3-en-1-yl]…

Find On: PubMed — Wikipedia — Google

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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) 2.04 5.12 -6.65 1 2 0 36 176.263 3 ↓
Mid Mid (pH 6-8) 2.04 6.12 -46.82 2 2 1 40 177.271 3 ↓

Analogs

45629531
45629531
45629532
45629532
45629533
45629533
45629534
45629534

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(1R)-cyclohex-3-en-1-yl]-2-(cyclopropylamino)acetonitrile (2R)-2-[(1R)-cyclohex-3-en-1-yl]…

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) 2.04 5.14 -5.87 1 2 0 36 176.263 3 ↓
Mid Mid (pH 6-8) 2.04 6.22 -45.56 2 2 1 40 177.271 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(1S)-cyclohex-3-en-1-yl]-2-(cyclopropylamino)acetic (2S)-2-[(1S)-cyclohex-3-en-1-yl]…

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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) 0.04 6.57 -33.23 2 3 0 57 195.262 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(1R)-cyclohex-3-en-1-yl]-2-(cyclopropylamino)acetic (2S)-2-[(1R)-cyclohex-3-en-1-yl]…

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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) 0.04 6.45 -32.84 2 3 0 57 195.262 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(1S)-cyclohex-3-en-1-yl]-2-(cyclopropylamino)acetic (2R)-2-[(1S)-cyclohex-3-en-1-yl]…

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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) 0.04 6.61 -33.38 2 3 0 57 195.262 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(1R)-cyclohex-3-en-1-yl]-2-(cyclopropylamino)acetic (2R)-2-[(1R)-cyclohex-3-en-1-yl]…

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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) 0.04 6.65 -33.14 2 3 0 57 195.262 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(1S)-cyclohex-3-en-1-yl]-2-(cyclopropylamino)ethanol (2S)-2-[(1S)-cyclohex-3-en-1-yl]…

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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) 1.62 3.44 -33.15 3 2 1 37 182.287 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(1R)-cyclohex-3-en-1-yl]-2-(cyclopropylamino)ethanol (2S)-2-[(1R)-cyclohex-3-en-1-yl]…

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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) 1.62 3.43 -33.18 3 2 1 37 182.287 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(1S)-cyclohex-3-en-1-yl]-2-(cyclopropylamino)ethanol (2R)-2-[(1S)-cyclohex-3-en-1-yl]…

Find On: PubMed — Wikipedia — Google

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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) 1.62 3.41 -33.41 3 2 1 37 182.287 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(1R)-cyclohex-3-en-1-yl]-2-(cyclopropylamino)ethanol (2R)-2-[(1R)-cyclohex-3-en-1-yl]…

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) 1.62 3.42 -33.44 3 2 1 37 182.287 4 ↓

Parameters Provided:

ring.id = 92074
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 = 92074 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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