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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: (1R)-1-(1,3-benzodioxol-5-yl)-N'-(cyclopropylmethyl)-N'-ethyl-ethane-1,2-diamine (1R)-1-(1,3-benzodioxol-5-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) 0.59 5.77 -41.64 3 4 1 49 263.361 6 ↓
Hi High (pH 8-9.5) 0.59 4.36 -48.26 3 4 1 49 263.361 6 ↓
Lo Low (pH 4.5-6) 0.59 6.12 -138.11 4 4 2 51 264.369 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(1,3-benzodioxol-5-yl)-N'-(cyclopropylmethyl)-N'-ethyl-ethane-1,2-diamine (1S)-1-(1,3-benzodioxol-5-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) 0.59 6.01 -37.59 3 4 1 49 263.361 6 ↓
Hi High (pH 8-9.5) 0.59 4.29 -48.08 3 4 1 49 263.361 6 ↓
Lo Low (pH 4.5-6) 0.59 6.41 -136.06 4 4 2 51 264.369 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(1,3-benzodioxol-5-yl)-N'-(cyclopropylmethyl)-N,N'-diethyl-ethane-1,2-diamine (1R)-1-(1,3-benzodioxol-5-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) 3.22 8.15 -38.42 2 4 1 35 291.415 8 ↓
Mid Mid (pH 6-8) 3.22 8.41 -121.1 3 4 2 40 292.423 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(1,3-benzodioxol-5-yl)-N'-(cyclopropylmethyl)-N,N'-diethyl-ethane-1,2-diamine (1S)-1-(1,3-benzodioxol-5-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) 3.22 7.9 -37.38 2 4 1 35 291.415 8 ↓
Mid Mid (pH 6-8) 3.22 8.96 -126.98 3 4 2 40 292.423 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(1,3-benzodioxol-5-yl)-N'-(cyclopropylmethyl)-N'-ethyl-N-methyl-ethane-1,2-diamine (1R)-1-(1,3-benzodioxol-5-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) 2.85 8.13 -38.24 2 4 1 35 277.388 7 ↓
Mid Mid (pH 6-8) 2.85 7.58 -120.73 3 4 2 40 278.396 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(1,3-benzodioxol-5-yl)-N'-(cyclopropylmethyl)-N'-ethyl-N-methyl-ethane-1,2-diamine (1S)-1-(1,3-benzodioxol-5-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) 2.85 6.99 -39.86 2 4 1 35 277.388 7 ↓
Mid Mid (pH 6-8) 2.85 8.14 -128 3 4 2 40 278.396 7 ↓

Analogs

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Popular Name: (1R)-1-(1,3-benzodioxol-5-yl)-2-[cyclopropylmethyl(ethyl)amino]ethanol (1R)-1-(1,3-benzodioxol-5-yl)-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) 2.29 5.51 -41.58 2 4 1 43 264.345 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(1,3-benzodioxol-5-yl)-2-[cyclopropylmethyl(ethyl)amino]ethanol (1S)-1-(1,3-benzodioxol-5-yl)-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) 2.29 5.73 -40.79 2 4 1 43 264.345 6 ↓

Analogs

42253546
42253546
70939989
70939989
70939990
70939990

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(1,3-benzodioxol-5-yl)-2-[cyclopropylmethyl(isopropyl)amino]ethanol (1R)-1-(1,3-benzodioxol-5-yl)-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) 2.59 5.73 -40.62 2 4 1 43 278.372 6 ↓

Analogs

70939989
70939989
70939990
70939990
42253542
42253542

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(1,3-benzodioxol-5-yl)-2-[cyclopropylmethyl(isopropyl)amino]ethanol (1S)-1-(1,3-benzodioxol-5-yl)-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) 2.59 5.79 -39.98 2 4 1 43 278.372 6 ↓

Parameters Provided:

ring.id = 325046
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 = 325046 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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