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

Analogs

36151130
36151130

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Popular Name: benzyl-[(isopropylamino)methyl]BLAHone benzyl-[(isopropylamino)methyl]B…

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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) 2.49 7.32 -51.2 3 5 1 66 369.514 5 ↓
Hi High (pH 8-9.5) 2.95 4.87 -44.96 2 5 0 69 368.506 5 ↓
Lo Low (pH 4.5-6) 2.49 9.6 -95.66 4 5 2 67 370.522 5 ↓

Analogs

36151130
36151130

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Popular Name: benzyl-[(3-methoxypropylamino)methyl]BLAHone benzyl-[(3-methoxypropylamino)me…

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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) 2.07 6.63 -58.66 3 6 1 75 399.54 8 ↓
Hi High (pH 8-9.5) 2.07 5.27 -12.79 2 6 0 70 398.532 8 ↓

Analogs

36156063
36156063
36151130
36151130

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Popular Name: benzyl-[(isopentylamino)methyl]BLAHone benzyl-[(isopentylamino)methyl]B…

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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) 3.47 8.84 -56.35 3 5 1 66 397.568 7 ↓
Hi High (pH 8-9.5) 3.47 7.47 -10.59 2 5 0 61 396.56 7 ↓
Hi High (pH 8-9.5) 3.93 6.37 -47.26 2 5 0 69 396.56 7 ↓

Analogs

36151130
36151130

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Popular Name: (allylamino)methyl-benzyl-BLAHone (allylamino)methyl-benzyl-BLAHone

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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) 2.46 7.36 -54.89 3 5 1 66 367.498 6 ↓
Hi High (pH 8-9.5) 2.46 5.97 -10.98 2 5 0 61 366.49 6 ↓
Hi High (pH 8-9.5) 2.92 4.89 -46.91 2 5 0 69 366.49 6 ↓

Analogs

36155974
36155974
36156031
36156031
35744081
35744081
35744085
35744085
36155912
36155912

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Popular Name: benzyl-[[[(2S)-3-ethoxy-2-hydroxy-propyl]-propyl-amino]methyl]BLAHone benzyl-[[[(2S)-3-ethoxy-2-hydrox…

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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) 2.66 8.28 -55.22 3 7 1 83 471.647 11 ↓
Hi High (pH 8-9.5) 3.11 5.61 -48.32 2 7 0 86 470.639 11 ↓
Lo Low (pH 4.5-6) 2.66 10.56 -99.4 4 7 2 84 472.655 11 ↓

Analogs

36155955
36155955

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Popular Name: [allyl-[(2R)-2-hydroxy-3-isobutoxy-propyl]amino]methyl-benzyl-BLAHone [allyl-[(2R)-2-hydroxy-3-isobuto…

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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) 3.17 9.38 -52.72 3 7 1 83 497.685 12 ↓
Hi High (pH 8-9.5) 3.17 7.16 -13.69 2 7 0 82 496.677 12 ↓
Hi High (pH 8-9.5) 3.63 6.8 -42.43 2 7 0 86 496.677 12 ↓

Analogs

36155974
36155974
36155953
36155953

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Popular Name: [allyl-[(2S)-2-hydroxy-3-isobutoxy-propyl]amino]methyl-benzyl-BLAHone [allyl-[(2S)-2-hydroxy-3-isobuto…

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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) 3.17 9.65 -52.32 3 7 1 83 497.685 12 ↓
Hi High (pH 8-9.5) 3.17 7.23 -13 2 7 0 82 496.677 12 ↓
Hi High (pH 8-9.5) 3.63 6.9 -47.46 2 7 0 86 496.677 12 ↓

Analogs

35744081
35744081
36155919
36155919
36155940
36155940
36155957
36155957
36155970
36155970

Draw Identity 99% 90% 80% 70%

Popular Name: benzyl-[[(2-hydroxy-2-methyl-propyl)-(3-methoxypropyl)amino]methyl]BLAHone benzyl-[[(2-hydroxy-2-methyl-pro…

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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) 2.50 8.09 -49.36 3 7 1 83 471.647 10 ↓
Hi High (pH 8-9.5) 2.50 5.22 -12.28 2 7 0 82 470.639 10 ↓
Hi High (pH 8-9.5) 2.95 5.45 -41.85 2 7 0 86 470.639 10 ↓

Analogs

36155940
36155940
36155957
36155957
36155970
36155970

Draw Identity 99% 90% 80% 70%

Popular Name: benzyl-[[[(2R)-2-hydroxypropyl]-isopropyl-amino]methyl]BLAHone benzyl-[[[(2R)-2-hydroxypropyl]-…

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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) 2.47 7.56 -49.13 3 6 1 74 427.594 7 ↓
Hi High (pH 8-9.5) 2.92 4.84 -45.57 2 6 0 77 426.586 7 ↓
Hi High (pH 8-9.5) 2.47 5.57 -12.74 2 6 0 72 426.586 7 ↓

Analogs

35744081
35744081
35744085
35744085
36155912
36155912
36155940
36155940
36155951
36155951

Draw Identity 99% 90% 80% 70%

Popular Name: benzyl-[[[(2S)-2-hydroxy-3-methoxy-propyl]-(3-methoxypropyl)amino]methyl]BLAHone benzyl-[[[(2S)-2-hydroxy-3-metho…

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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) 1.66 6.38 -56.35 3 8 1 92 487.646 12 ↓
Hi High (pH 8-9.5) 1.66 4.04 -16.22 2 8 0 91 486.638 12 ↓
Hi High (pH 8-9.5) 2.12 4.76 -43.39 2 8 0 95 486.638 12 ↓

Analogs

36156071
36156071
36151130
36151130
36155970
36155970

Draw Identity 99% 90% 80% 70%

Popular Name: benzyl(diethylaminomethyl)BLAHone benzyl(diethylaminomethyl)BLAHone

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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) 2.82 9.65 -47.24 2 5 1 53 383.541 6 ↓
Hi High (pH 8-9.5) 3.27 7 -43.16 1 5 0 57 382.533 6 ↓
Hi High (pH 8-9.5) 2.82 7.4 -10.57 1 5 0 52 382.533 6 ↓

Analogs

36151130
36151130
36155970
36155970
36156061
36156061

Draw Identity 99% 90% 80% 70%

Popular Name: benzyl-[[ethyl(methyl)amino]methyl]BLAHone benzyl-[[ethyl(methyl)amino]meth…

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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) 2.44 8.98 -49.56 2 5 1 53 369.514 5 ↓
Hi High (pH 8-9.5) 2.90 6.42 -44.28 1 5 0 57 368.506 5 ↓
Lo Low (pH 4.5-6) 2.44 11.26 -93.56 3 5 2 55 370.522 5 ↓

Parameters Provided:

ring.id = 72996
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 = 72996 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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