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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: (4S)-1-ethyl-4-(4-fluorophenyl)-6-[3-(4-methylpiperazin-1-yl)-3-oxo-propyl]-4,7-dihydro-3H-pyrrolo[3 (4S)-1-ethyl-4-(4-fluorophenyl)-…

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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) 1.82 6.64 -18.76 1 8 0 76 429.496 5 ↓
Mid Mid (pH 6-8) 1.82 8.99 -57.58 2 8 1 77 430.504 5 ↓

Analogs

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Popular Name: (4R)-1-ethyl-4-(4-fluorophenyl)-6-[3-(4-methylpiperazin-1-yl)-3-oxo-propyl]-4,7-dihydro-3H-pyrrolo[3 (4R)-1-ethyl-4-(4-fluorophenyl)-…

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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) 1.82 6.68 -19.42 1 8 0 76 429.496 5 ↓
Mid Mid (pH 6-8) 1.82 9.02 -56.76 2 8 1 77 430.504 5 ↓

Analogs

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Popular Name: (4S)-4-(2,4-dimethylphenyl)-1-ethyl-6-[3-(4-ethylpiperazin-1-yl)-3-oxo-propyl]-4,7-dihydro-3H-pyrrol (4S)-4-(2,4-dimethylphenyl)-1-et…

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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 8.21 -20.19 1 8 0 76 453.587 6 ↓
Mid Mid (pH 6-8) 2.86 10.42 -59.07 2 8 1 77 454.595 6 ↓

Analogs

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Popular Name: (4R)-4-(2,4-dimethylphenyl)-1-ethyl-6-[3-(4-ethylpiperazin-1-yl)-3-oxo-propyl]-4,7-dihydro-3H-pyrrol (4R)-4-(2,4-dimethylphenyl)-1-et…

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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 8.3 -20.42 1 8 0 76 453.587 6 ↓
Mid Mid (pH 6-8) 2.86 10.51 -56.01 2 8 1 77 454.595 6 ↓

Analogs

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Popular Name: (4S)-6-[3-(4-acetylpiperazin-1-yl)-3-oxo-propyl]-4-(2,4-dimethylphenyl)-1-ethyl-4,7-dihydro-3H-pyrro (4S)-6-[3-(4-acetylpiperazin-1-y…

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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) 1.84 8.72 -25.33 1 9 0 93 467.57 5 ↓

Analogs

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Popular Name: (4R)-6-[3-(4-acetylpiperazin-1-yl)-3-oxo-propyl]-4-(2,4-dimethylphenyl)-1-ethyl-4,7-dihydro-3H-pyrro (4R)-6-[3-(4-acetylpiperazin-1-y…

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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) 1.84 8.81 -25.58 1 9 0 93 467.57 5 ↓

Analogs

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Popular Name: (4S)-1-ethyl-6-[3-(4-ethylpiperazin-1-yl)-3-oxo-propyl]-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-3H (4S)-1-ethyl-6-[3-(4-ethylpipera…

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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) 2.88 8.03 -21.16 1 8 0 76 493.53 7 ↓
Mid Mid (pH 6-8) 2.88 10.25 -60.46 2 8 1 77 494.538 7 ↓

Analogs

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Popular Name: (4R)-1-ethyl-6-[3-(4-ethylpiperazin-1-yl)-3-oxo-propyl]-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-3H (4R)-1-ethyl-6-[3-(4-ethylpipera…

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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) 2.88 8.04 -20.34 1 8 0 76 493.53 7 ↓
Mid Mid (pH 6-8) 2.88 10.25 -57.84 2 8 1 77 494.538 7 ↓

Analogs

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Popular Name: (4S)-6-[3-(4-acetylpiperazin-1-yl)-3-oxo-propyl]-1-allyl-4-[4-(trifluoromethyl)phenyl]-4,7-dihydro-3 (4S)-6-[3-(4-acetylpiperazin-1-y…

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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) 2.18 9.54 -23.1 1 9 0 93 519.524 7 ↓

Analogs

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Popular Name: (4R)-6-[3-(4-acetylpiperazin-1-yl)-3-oxo-propyl]-1-allyl-4-[4-(trifluoromethyl)phenyl]-4,7-dihydro-3 (4R)-6-[3-(4-acetylpiperazin-1-y…

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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) 2.18 9.55 -23.38 1 9 0 93 519.524 7 ↓

Analogs

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Popular Name: (4S)-1-allyl-6-[3-(4-ethylpiperazin-1-yl)-3-oxo-propyl]-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-3H (4S)-1-allyl-6-[3-(4-ethylpipera…

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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) 3.15 8.6 -20.69 1 8 0 76 505.541 8 ↓
Mid Mid (pH 6-8) 3.15 10.81 -60.06 2 8 1 77 506.549 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-allyl-6-[3-(4-ethylpiperazin-1-yl)-3-oxo-propyl]-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-3H (4R)-1-allyl-6-[3-(4-ethylpipera…

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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) 3.15 8.59 -19.73 1 8 0 76 505.541 8 ↓
Mid Mid (pH 6-8) 3.15 10.8 -57.26 2 8 1 77 506.549 8 ↓

Parameters Provided:

ring.id = 20161
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 = 20161 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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