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

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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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) 2.86 7.73 -47.3 2 4 1 46 279.404 5 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.86 7.76 -50.49 2 4 1 46 279.404 5 ↓

Analogs

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Popular Name: N-[[(1R,4R,5R)-5-bicyclo[2.2.1]hept-2-enyl]methyl]-1-ethylsulfonyl-piperidin-4-amine N-[[(1R,4R,5R)-5-bicyclo[2.2.1]h…

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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) 2.16 5.49 -48.48 2 4 1 54 299.46 5 ↓

Analogs

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Popular Name: N-[[(1R,4R,5S)-5-bicyclo[2.2.1]hept-2-enyl]methyl]-1-ethylsulfonyl-piperidin-4-amine N-[[(1R,4R,5S)-5-bicyclo[2.2.1]h…

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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) 2.16 5.47 -55.69 2 4 1 54 299.46 5 ↓

Analogs

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Popular Name: 2-[4-[[(1R,4R,5R)-5-bicyclo[2.2.1]hept-2-enyl]methylamino]-1-piperidyl]-N-methyl-acetamide 2-[4-[[(1R,4R,5R)-5-bicyclo[2.2.…

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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) 2.02 4.2 -42.14 3 4 1 49 278.42 5 ↓
Mid Mid (pH 6-8) 2.02 6.36 -107.66 4 4 2 50 279.428 5 ↓

Analogs

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Popular Name: 2-[4-[[(1R,4R,5S)-5-bicyclo[2.2.1]hept-2-enyl]methylamino]-1-piperidyl]-N-methyl-acetamide 2-[4-[[(1R,4R,5S)-5-bicyclo[2.2.…

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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) 2.02 4.22 -44.91 3 4 1 49 278.42 5 ↓
Mid Mid (pH 6-8) 2.02 6.39 -113.05 4 4 2 50 279.428 5 ↓

Analogs

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Popular Name: 2-[4-[[(1R,4R,5R)-5-bicyclo[2.2.1]hept-2-enyl]methylamino]-1-piperidyl]acetamide 2-[4-[[(1R,4R,5R)-5-bicyclo[2.2.…

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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) 1.14 2.69 -41.64 4 4 1 63 264.393 5 ↓
Mid Mid (pH 6-8) 1.14 4.87 -107.25 5 4 2 64 265.401 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[[(1R,4R,5S)-5-bicyclo[2.2.1]hept-2-enyl]methylamino]-1-piperidyl]acetamide 2-[4-[[(1R,4R,5S)-5-bicyclo[2.2.…

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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) 1.14 2.73 -44.45 4 4 1 63 264.393 5 ↓
Mid Mid (pH 6-8) 1.14 4.92 -111.66 5 4 2 64 265.401 5 ↓

Analogs

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Popular Name: 1-[4-[[(1R,4R,5R)-5-bicyclo[2.2.1]hept-2-enyl]methylamino]-1-piperidyl]-2-methoxy-ethanone 1-[4-[[(1R,4R,5R)-5-bicyclo[2.2.…

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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) 1.72 7.14 -52.99 2 4 1 46 279.404 5 ↓

Analogs

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Popular Name: 1-[4-[[(1R,4R,5S)-5-bicyclo[2.2.1]hept-2-enyl]methylamino]-1-piperidyl]-2-methoxy-ethanone 1-[4-[[(1R,4R,5S)-5-bicyclo[2.2.…

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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) 1.72 7.16 -55.15 2 4 1 46 279.404 5 ↓

Analogs

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Popular Name: 1-[4-[[(1R,4R,5R)-5-bicyclo[2.2.1]hept-2-enyl]methylamino]-1-piperidyl]-2,2-dimethyl-propan-1-one 1-[4-[[(1R,4R,5R)-5-bicyclo[2.2.…

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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) 3.44 8.41 -50.04 2 3 1 37 291.459 4 ↓

Analogs

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Popular Name: 1-[4-[[(1R,4R,5S)-5-bicyclo[2.2.1]hept-2-enyl]methylamino]-1-piperidyl]-2,2-dimethyl-propan-1-one 1-[4-[[(1R,4R,5S)-5-bicyclo[2.2.…

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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) 3.44 8.36 -52.79 2 3 1 37 291.459 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[[(1R,4R,5R)-5-bicyclo[2.2.1]hept-2-enyl]methylamino]-1-piperidyl]-2-methyl-propan-1-one 1-[4-[[(1R,4R,5R)-5-bicyclo[2.2.…

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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) 2.86 8.26 -49.53 2 3 1 37 277.432 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[[(1R,4R,5S)-5-bicyclo[2.2.1]hept-2-enyl]methylamino]-1-piperidyl]-2-methyl-propan-1-one 1-[4-[[(1R,4R,5S)-5-bicyclo[2.2.…

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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) 2.86 8.24 -51.28 2 3 1 37 277.432 4 ↓

Analogs

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Popular Name: N-[[(1R,4R,5R)-5-bicyclo[2.2.1]hept-2-enyl]methyl]-1-propylsulfonyl-piperidin-4-amine N-[[(1R,4R,5R)-5-bicyclo[2.2.1]h…

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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) 2.67 6.28 -48.57 2 4 1 54 313.487 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1R,4R,5S)-5-bicyclo[2.2.1]hept-2-enyl]methyl]-1-propylsulfonyl-piperidin-4-amine N-[[(1R,4R,5S)-5-bicyclo[2.2.1]h…

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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) 2.67 6.27 -55.86 2 4 1 54 313.487 6 ↓

Analogs

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Popular Name: N-[[(1R,4R,5R)-5-bicyclo[2.2.1]hept-2-enyl]methyl]-1-butyl-piperidin-4-amine N-[[(1R,4R,5R)-5-bicyclo[2.2.1]h…

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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) 3.85 7.95 -37.18 2 2 1 20 263.449 6 ↓
Lo Low (pH 4.5-6) 3.85 10.18 -104.62 3 2 2 21 264.457 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1R,4R,5S)-5-bicyclo[2.2.1]hept-2-enyl]methyl]-1-butyl-piperidin-4-amine N-[[(1R,4R,5S)-5-bicyclo[2.2.1]h…

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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) 3.85 7.98 -39.67 2 2 1 20 263.449 6 ↓
Lo Low (pH 4.5-6) 3.85 10.2 -109.73 3 2 2 21 264.457 6 ↓

Parameters Provided:

ring.id = 548536
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 = 548536 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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