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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: (4-amino-1H-pyrrol-2-yl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone (4-amino-1H-pyrrol-2-yl)-[4-(2-m…

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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) 0.09 3.77 -45.7 4 6 1 76 267.353 4 ↓
Mid Mid (pH 6-8) -0.35 2.75 -97.35 4 6 2 74 268.361 4 ↓

Analogs

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Popular Name: (4-amino-1-methyl-pyrrol-2-yl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone (4-amino-1-methyl-pyrrol-2-yl)-[…

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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) 0.16 4.6 -36.87 3 6 1 65 281.38 4 ↓

Analogs

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Popular Name: (4-amino-1-ethyl-pyrrol-2-yl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone (4-amino-1-ethyl-pyrrol-2-yl)-[4…

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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) 0.53 5.5 -36.64 3 6 1 65 295.407 5 ↓

Analogs

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Popular Name: 1-[4-(4-amino-1H-pyrrole-2-carbonyl)-1,4-diazepan-1-yl]propan-1-one 1-[4-(4-amino-1H-pyrrole-2-carbo…

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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) 0.30 3.97 -12.69 3 6 0 82 264.329 2 ↓
Mid Mid (pH 6-8) -0.14 2.86 -56.3 3 6 1 81 265.337 2 ↓

Analogs

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Popular Name: 1-[4-(4-amino-1-methyl-pyrrole-2-carbonyl)-1,4-diazepan-1-yl]propan-1-one 1-[4-(4-amino-1-methyl-pyrrole-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) 0.37 4.7 -15.26 2 6 0 72 278.356 2 ↓

Analogs

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Popular Name: 1-[4-(4-amino-1-ethyl-pyrrole-2-carbonyl)-1,4-diazepan-1-yl]propan-1-one 1-[4-(4-amino-1-ethyl-pyrrole-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) 0.75 5.56 -14.79 2 6 0 72 292.383 3 ↓

Analogs

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Popular Name: 1-[5-(4-tert-butyl-1,4-diazepane-1-carbonyl)-1-methyl-pyrrol-3-yl]ethanone 1-[5-(4-tert-butyl-1,4-diazepane…

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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) 1.77 8.74 -39.13 1 5 1 47 306.43 3 ↓
Hi High (pH 8-9.5) 1.77 7.13 -12.03 0 5 0 46 305.422 3 ↓

Analogs

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Popular Name: tert-butyl tert-butyl

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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 7.89 -9.61 1 6 0 66 372.263 3 ↓

Analogs

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Popular Name: 2-[4-(4,5-dichloro-1-methyl-pyrrole-2-carbonyl)-1,4-diazepan-1-yl]acetamide 2-[4-(4,5-dichloro-1-methyl-pyrr…

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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) 0.90 4.61 -42.78 3 6 1 73 334.227 3 ↓
Hi High (pH 8-9.5) 0.90 2.95 -10.14 2 6 0 72 333.219 3 ↓

Analogs

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Popular Name: (4-chloro-1H-pyrrol-2-yl)-(4-isobutyl-1,4-diazepan-1-yl)methanone (4-chloro-1H-pyrrol-2-yl)-(4-iso…

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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) 2.42 8.66 -49.25 2 4 1 41 284.811 3 ↓

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) 2.31 9.51 -47.2 2 6 1 67 336.456 6 ↓
Hi High (pH 8-9.5) 2.31 7.65 -10.66 1 6 0 66 335.448 6 ↓

Analogs

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Popular Name: 1-[4-(4,5-dichloro-1-methyl-pyrrole-2-carbonyl)-1,4-diazepan-1-yl]ethanone 1-[4-(4,5-dichloro-1-methyl-pyrr…

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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) 1.53 6.79 -8.99 0 5 0 46 318.204 1 ↓

Parameters Provided:

ring.id = 14864
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 = 14864 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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