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

Analogs

36640151
36640151

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Popular Name: 2-(dimethylBLAHyl)sulfanyl-1-(1-piperidyl)ethanone 2-(dimethylBLAHyl)sulfanyl-1-(1-…

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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) 3.50 9.48 -13.57 0 5 0 59 372.519 3 ↓

Analogs

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Popular Name: dimethyl-[4-[(2-methyl-1-naphthyl)methyl]piperazin-1-yl]BLAH dimethyl-[4-[(2-methyl-1-naphthy…

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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) 5.60 11.86 -10.23 0 5 0 45 453.615 3 ↓

Analogs

36559110
36559110
4334934
4334934
32089268
32089268
31809579
31809579

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Popular Name: 2-(dimethylBLAHyl)sulfanyl-N,N-dimethyl-ethanamine 2-(dimethylBLAHyl)sulfanyl-N,N-d…

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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) 3.27 9.27 -42.58 1 4 1 43 319.479 4 ↓
Hi High (pH 8-9.5) 3.27 6.78 -8 0 4 0 42 318.471 4 ↓

Analogs

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Popular Name: 1-BLAHylpiperidine-4-carboxylic 1-BLAHylpiperidine-4-carboxylic

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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) 1.95 8.14 -50.46 0 6 -1 82 313.362 2 ↓

Analogs

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Popular Name: N-(2-pyridylmethyl)BLAHamine N-(2-pyridylmethyl)BLAHamine

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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) 1.91 6.23 -10.92 1 5 0 64 293.355 3 ↓
Lo Low (pH 4.5-6) 1.91 6.64 -38.84 2 5 1 65 294.363 3 ↓

Analogs

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Popular Name: N-(3-pyridylmethyl)BLAHamine N-(3-pyridylmethyl)BLAHamine

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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 6.29 -10.45 1 5 0 64 293.355 3 ↓
Lo Low (pH 4.5-6) 1.85 6.76 -41.31 2 5 1 65 294.363 3 ↓

Analogs

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Popular Name: N-[3-(BLAHylamino)propyl]formamide N-[3-(BLAHylamino)propyl]formamide

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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) 1.13 3.45 -15.98 2 6 0 80 287.348 5 ↓

Analogs

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Popular Name: bromo-N-tert-butyl-BLAHamine bromo-N-tert-butyl-BLAHamine

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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) 3.83 7.53 -5.33 1 4 0 51 337.246 2 ↓

Analogs

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Popular Name: N-(4-methoxyphenyl)BLAHamine N-(4-methoxyphenyl)BLAHamine

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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) 3.88 7.6 -9.95 1 5 0 60 308.366 3 ↓

Analogs

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Popular Name: N-(3,4-dimethoxyphenyl)BLAHamine N-(3,4-dimethoxyphenyl)BLAHamine

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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 7.51 -11.94 1 6 0 69 338.392 4 ↓

Analogs

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Popular Name: N-(1,3-benzodioxol-5-yl)BLAHamine N-(1,3-benzodioxol-5-yl)BLAHamine

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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) 3.71 6.94 -10.56 1 6 0 69 322.349 2 ↓

Analogs

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Popular Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)BLAHamine N-(2,3-dihydro-1,4-benzodioxin-6…

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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) 3.33 7.43 -11.16 1 6 0 69 336.376 2 ↓

Analogs

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Popular Name: 3-(BLAHylamino)phenol 3-(BLAHylamino)phenol

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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) 3.32 5.46 -10.21 2 5 0 71 294.339 2 ↓

Analogs

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Popular Name: 4-(BLAHylamino)phenol 4-(BLAHylamino)phenol

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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) 3.34 5.42 -10.41 2 5 0 71 294.339 2 ↓

Analogs

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Popular Name: 2-[(3R)-1,1-dioxothiolan-3-yl]-N'-BLAHyl-acetohydrazide 2-[(3R)-1,1-dioxothiolan-3-yl]-N…

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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) 0.94 3.3 -22.89 2 8 0 114 377.451 4 ↓

Parameters Provided:

ring.id = 12277
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 = 12277 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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