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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: (1S,2R)-2-[[(3S)-1-methylpyrrolidin-3-yl]amino]cyclohexanecarbonitrile (1S,2R)-2-[[(3S)-1-methylpyrroli…

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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) 1.80 5.18 -39.59 2 3 1 40 208.329 2 ↓
Hi High (pH 8-9.5) 1.80 2.71 -7.3 1 3 0 39 207.321 2 ↓

Analogs

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Popular Name: (1S,2R)-2-[[(3R)-1-methylpyrrolidin-3-yl]amino]cyclohexanecarbonitrile (1S,2R)-2-[[(3R)-1-methylpyrroli…

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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) 1.80 5.28 -40.33 2 3 1 40 208.329 2 ↓
Hi High (pH 8-9.5) 1.80 2.51 -7.66 1 3 0 39 207.321 2 ↓

Analogs

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Popular Name: (3S)-N-[(1R,3S)-3-methoxycyclohexyl]-1-methyl-pyrrolidin-3-amine (3S)-N-[(1R,3S)-3-methoxycyclohe…

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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) 1.38 2.53 -37.27 2 3 1 29 213.345 3 ↓
Hi High (pH 8-9.5) 1.38 1.59 -2.03 1 3 0 24 212.337 3 ↓
Mid Mid (pH 6-8) 1.38 4.07 -33.94 2 3 1 26 213.345 3 ↓

Analogs

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Popular Name: (3R)-N-[(1R,3S)-3-methoxycyclohexyl]-1-methyl-pyrrolidin-3-amine (3R)-N-[(1R,3S)-3-methoxycyclohe…

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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) 1.38 2.55 -38.35 2 3 1 29 213.345 3 ↓
Hi High (pH 8-9.5) 1.38 1.39 -2.11 1 3 0 24 212.337 3 ↓
Mid Mid (pH 6-8) 1.38 4.18 -34.02 2 3 1 26 213.345 3 ↓

Analogs

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Popular Name: (3R)-N-[(1R,3S)-3-methoxycyclohexyl]-N-methyl-pyrrolidin-3-amine (3R)-N-[(1R,3S)-3-methoxycyclohe…

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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) 1.38 2.44 -38.31 2 3 1 29 213.345 3 ↓
Hi High (pH 8-9.5) 1.38 0.92 -2.28 1 3 0 24 212.337 3 ↓
Mid Mid (pH 6-8) 1.38 3.17 -33.77 2 3 1 26 213.345 3 ↓

Analogs

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Popular Name: (3R)-N-[(1S,3S)-3-methoxycyclohexyl]-N-methyl-pyrrolidin-3-amine (3R)-N-[(1S,3S)-3-methoxycyclohe…

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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) 1.38 2.64 -35.89 2 3 1 29 213.345 3 ↓
Hi High (pH 8-9.5) 1.38 1.08 -1.98 1 3 0 24 212.337 3 ↓
Mid Mid (pH 6-8) 1.38 3.33 -31.97 2 3 1 26 213.345 3 ↓

Analogs

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Popular Name: (3R)-N-ethyl-N-[(1R,3S)-3-methoxycyclohexyl]pyrrolidin-3-amine (3R)-N-ethyl-N-[(1R,3S)-3-methox…

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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) 1.76 3.19 -40.89 2 3 1 29 227.372 4 ↓
Hi High (pH 8-9.5) 1.76 1.75 -2.05 1 3 0 24 226.364 4 ↓
Mid Mid (pH 6-8) 1.76 3.58 -32.69 2 3 1 26 227.372 4 ↓

Analogs

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Popular Name: (3R)-N-ethyl-N-[(1S,3S)-3-methoxycyclohexyl]pyrrolidin-3-amine (3R)-N-ethyl-N-[(1S,3S)-3-methox…

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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) 1.76 3.3 -35.39 2 3 1 29 227.372 4 ↓
Hi High (pH 8-9.5) 1.76 2.07 -1.48 1 3 0 24 226.364 4 ↓
Mid Mid (pH 6-8) 1.76 3.71 -30.45 2 3 1 26 227.372 4 ↓

Analogs

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Popular Name: (3R)-N-[(1S,2R,4R)-2,4-dimethylcyclohexyl]-1-isopropyl-pyrrolidin-3-amine (3R)-N-[(1S,2R,4R)-2,4-dimethylc…

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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) 3.07 6.34 -33.61 2 2 1 20 239.427 3 ↓
Mid Mid (pH 6-8) 3.07 8.7 -105.91 3 2 2 21 240.435 3 ↓
Mid Mid (pH 6-8) 3.07 8 -30.84 2 2 1 16 239.427 3 ↓

Analogs

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Popular Name: (3R)-N-[(1S,2R,4S)-2,4-dimethylcyclohexyl]-1-isopropyl-pyrrolidin-3-amine (3R)-N-[(1S,2R,4S)-2,4-dimethylc…

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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) 3.07 6.11 -34.74 2 2 1 20 239.427 3 ↓
Mid Mid (pH 6-8) 3.07 8.51 -108.47 3 2 2 21 240.435 3 ↓
Mid Mid (pH 6-8) 3.07 7.51 -30 2 2 1 16 239.427 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1R,2R,4R)-2,4-dimethylcyclohexyl]-1-isopropyl-pyrrolidin-3-amine (3R)-N-[(1R,2R,4R)-2,4-dimethylc…

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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) 3.07 6.26 -35.44 2 2 1 20 239.427 3 ↓
Mid Mid (pH 6-8) 3.07 8.61 -106.98 3 2 2 21 240.435 3 ↓
Mid Mid (pH 6-8) 3.07 7.78 -30.51 2 2 1 16 239.427 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1R,2R,4S)-2,4-dimethylcyclohexyl]-1-isopropyl-pyrrolidin-3-amine (3R)-N-[(1R,2R,4S)-2,4-dimethylc…

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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) 3.07 6.11 -34.72 2 2 1 20 239.427 3 ↓
Mid Mid (pH 6-8) 3.07 7.66 -30.16 2 2 1 16 239.427 3 ↓
Mid Mid (pH 6-8) 3.07 8.5 -108.6 3 2 2 21 240.435 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1R,3S)-3-methoxycyclohexyl]-N-propyl-pyrrolidin-3-amine (3R)-N-[(1R,3S)-3-methoxycyclohe…

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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) 2.26 3.83 -39.18 2 3 1 29 241.399 5 ↓
Hi High (pH 8-9.5) 2.26 2.38 -1.83 1 3 0 24 240.391 5 ↓
Mid Mid (pH 6-8) 2.26 4.31 -32.84 2 3 1 26 241.399 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1S,3S)-3-methoxycyclohexyl]-N-propyl-pyrrolidin-3-amine (3R)-N-[(1S,3S)-3-methoxycyclohe…

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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) 2.26 4.03 -35.54 2 3 1 29 241.399 5 ↓
Hi High (pH 8-9.5) 2.26 2.82 -1.36 1 3 0 24 240.391 5 ↓
Mid Mid (pH 6-8) 2.26 4.45 -30.74 2 3 1 26 241.399 5 ↓

Parameters Provided:

ring.id = 156228
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 = 156228 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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