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

Analogs

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Popular Name: 2-methyl-5-[(2S)-4-methyl-2-phenyl-piperazin-1-yl]aniline 2-methyl-5-[(2S)-4-methyl-2-phen…

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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) 3.37 8.64 -38.47 3 3 1 34 282.411 2 ↓
Mid Mid (pH 6-8) 3.37 6.3 -3.34 2 3 0 32 281.403 2 ↓

Analogs

19795794
19795794
19795796
19795796
28523715
28523715

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Popular Name: [2-[(2R)-4-methyl-2-phenyl-piperazin-1-yl]phenyl]methanamine [2-[(2R)-4-methyl-2-phenyl-piper…

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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) 2.65 8.39 -105.44 4 3 2 35 283.419 3 ↓
Mid Mid (pH 6-8) 2.65 6.03 -41.75 3 3 1 34 282.411 3 ↓

Analogs

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Popular Name: 2-[(2R)-4-methyl-2-phenyl-piperazin-1-yl]benzamidine 2-[(2R)-4-methyl-2-phenyl-pipera…

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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) 1.85 8.03 -91.09 5 4 2 59 296.418 3 ↓
Hi High (pH 8-9.5) 1.85 6.64 -4.51 3 4 0 56 294.402 3 ↓
Mid Mid (pH 6-8) 1.85 5.66 -29.5 4 4 1 58 295.41 3 ↓

Analogs

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Popular Name: 3-fluoro-4-[(2R)-4-methyl-2-phenyl-piperazin-1-yl]benzaldehyde 3-fluoro-4-[(2R)-4-methyl-2-phen…

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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) 3.40 9.89 -43.73 1 3 1 25 299.369 3 ↓
Mid Mid (pH 6-8) 3.40 7.53 -9.46 0 3 0 24 298.361 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-4-methyl-2-phenyl-piperazin-1-yl]benzoic 2-[(2R)-4-methyl-2-phenyl-pipera…

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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) 3.56 10.7 -46.73 1 4 0 48 296.37 3 ↓

Analogs

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Popular Name: 4-[(2R)-4-methyl-2-phenyl-piperazin-1-yl]benzoic 4-[(2R)-4-methyl-2-phenyl-pipera…

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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) 3.42 10.54 -81.67 1 4 0 48 296.37 3 ↓

Parameters Provided:

ring.id = 5485
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 = 5485 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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