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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: 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) 2.87 8.26 -42.27 1 5 1 49 312.773 5 ↓
Hi High (pH 8-9.5) 2.87 6.41 -10.65 0 5 0 48 311.765 5 ↓

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) 2.87 7.95 -39.53 1 5 1 49 312.773 5 ↓
Hi High (pH 8-9.5) 2.87 5.76 -6.59 0 5 0 48 311.765 5 ↓

Analogs

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Popular Name: (3S)-1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[(7-chloro-1,3-benzodioxo…

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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) 2.23 7.75 -53.37 1 5 0 63 297.738 3 ↓

Analogs

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Popular Name: (3R)-1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[(7-chloro-1,3-benzodioxo…

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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) 2.23 7.72 -52.8 1 5 0 63 297.738 3 ↓

Analogs

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Popular Name: (3S)-1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-[(7-chloro-1,3-benzodioxo…

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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) 2.56 8.25 -51.34 1 5 0 63 311.765 4 ↓

Analogs

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Popular Name: (3R)-1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-[(7-chloro-1,3-benzodioxo…

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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) 2.56 8.21 -53.1 1 5 0 63 311.765 4 ↓

Analogs

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Popular Name: (3S)-1-(1,3-benzodioxol-5-ylmethyl)-3-propyl-pyrrolidine-3-carboxylic (3S)-1-(1,3-benzodioxol-5-ylmeth…

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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) 2.52 8.5 -51.24 1 5 0 63 291.347 5 ↓

Analogs

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Popular Name: (3R)-1-(1,3-benzodioxol-5-ylmethyl)-3-propyl-pyrrolidine-3-carboxylic (3R)-1-(1,3-benzodioxol-5-ylmeth…

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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) 2.52 8.44 -49.63 1 5 0 63 291.347 5 ↓

Analogs

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Popular Name: (3R)-1-[(1R)-2-amino-1-(7-chloro-1,3-benzodioxol-5-yl)ethyl]-N,N-dimethyl-pyrrolidin-3-amine (3R)-1-[(1R)-2-amino-1-(7-chloro…

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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) 1.37 3.77 -106.14 4 5 2 54 313.829 4 ↓
Mid Mid (pH 6-8) 1.37 1.35 -53.1 3 5 1 53 312.821 4 ↓

Analogs

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Popular Name: (3S)-1-[(1R)-2-amino-1-(7-chloro-1,3-benzodioxol-5-yl)ethyl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[(1R)-2-amino-1-(7-chloro…

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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) 1.37 3.78 -106.15 4 5 2 54 313.829 4 ↓
Mid Mid (pH 6-8) 1.37 1.38 -53.79 3 5 1 53 312.821 4 ↓

Analogs

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Popular Name: (3R)-1-[(1R)-2-amino-1-(1,3-benzodioxol-5-yl)ethyl]-N,N-dimethyl-pyrrolidin-3-amine (3R)-1-[(1R)-2-amino-1-(1,3-benz…

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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) 0.77 3.23 -105.84 4 5 2 54 279.384 4 ↓
Mid Mid (pH 6-8) 0.77 0.82 -48.54 3 5 1 53 278.376 4 ↓

Analogs

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Popular Name: (3S)-1-[(1R)-2-amino-1-(1,3-benzodioxol-5-yl)ethyl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[(1R)-2-amino-1-(1,3-benz…

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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) 0.77 3.25 -103.44 4 5 2 54 279.384 4 ↓
Mid Mid (pH 6-8) 0.77 0.86 -52.04 3 5 1 53 278.376 4 ↓

Analogs

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Popular Name: (3R)-1-[(1R)-2-amino-1-(7-bromo-1,3-benzodioxol-5-yl)ethyl]-N,N-dimethyl-pyrrolidin-3-amine (3R)-1-[(1R)-2-amino-1-(7-bromo-…

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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) 1.50 3.87 -105.87 4 5 2 54 358.28 4 ↓
Mid Mid (pH 6-8) 1.50 1.45 -52.83 3 5 1 53 357.272 4 ↓

Analogs

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Popular Name: (3S)-1-[(1R)-2-amino-1-(7-bromo-1,3-benzodioxol-5-yl)ethyl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[(1R)-2-amino-1-(7-bromo-…

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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) 1.50 3.88 -105.89 4 5 2 54 358.28 4 ↓
Mid Mid (pH 6-8) 1.50 1.49 -53.58 3 5 1 53 357.272 4 ↓

Analogs

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Popular Name: (3S)-1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]pyrrolidine-3-carboxamide (3S)-1-[(6-bromo-1,3-benzodioxol…

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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) 1.60 3.5 -42.98 3 5 1 66 328.186 3 ↓
Mid Mid (pH 6-8) 1.60 1.19 -11.53 2 5 0 65 327.178 3 ↓

Analogs

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Popular Name: (3R)-1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]pyrrolidine-3-carboxamide (3R)-1-[(6-bromo-1,3-benzodioxol…

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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) 1.60 3.47 -42.49 3 5 1 66 328.186 3 ↓
Mid Mid (pH 6-8) 1.60 1.19 -11.15 2 5 0 65 327.178 3 ↓

Analogs

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Popular Name: (3R)-3-amino-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]pyrrolidine-3-carboxylic (3R)-3-amino-1-[(7-methoxy-1,3-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) -1.71 3.32 -90.19 4 7 1 100 295.315 4 ↓
Mid Mid (pH 6-8) -1.71 0.83 -39.88 3 7 0 99 294.307 4 ↓

Analogs

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Popular Name: (3S)-3-amino-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]pyrrolidine-3-carboxylic (3S)-3-amino-1-[(7-methoxy-1,3-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) -1.71 3.3 -89.7 4 7 1 100 295.315 4 ↓
Mid Mid (pH 6-8) -1.71 0.88 -43.36 3 7 0 99 294.307 4 ↓

Analogs

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Popular Name: 1-isopropyl-3-[[(3R)-1-[(6-methyl-1,3-benzodioxol-5-yl)methyl]pyrrolidin-3-yl]methyl]urea 1-isopropyl-3-[[(3R)-1-[(6-methy…

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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) 2.62 6.24 -50.46 3 6 1 64 334.44 5 ↓

Analogs

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Popular Name: 1-isopropyl-3-[[(3S)-1-[(6-methyl-1,3-benzodioxol-5-yl)methyl]pyrrolidin-3-yl]methyl]urea 1-isopropyl-3-[[(3S)-1-[(6-methy…

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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) 2.62 6.22 -50.51 3 6 1 64 334.44 5 ↓

Analogs

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Popular Name: (2S,4S)-4-amino-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-N-isopropyl-pyrrolidine-2-carboxamide (2S,4S)-4-amino-1-[(6-chloro-1,3…

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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) 1.00 1.86 -57.66 4 6 1 78 340.831 4 ↓
Hi High (pH 8-9.5) 1.00 1.51 -9.36 3 6 0 77 339.823 4 ↓

Analogs

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Popular Name: (2S,4R)-4-amino-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-N-isopropyl-pyrrolidine-2-carboxamide (2S,4R)-4-amino-1-[(6-chloro-1,3…

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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) 1.00 1.96 -58.63 4 6 1 78 340.831 4 ↓
Hi High (pH 8-9.5) 1.00 1.67 -9.38 3 6 0 77 339.823 4 ↓

Analogs

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Popular Name: N-[[(3S)-1-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]pyrrolidin-3-yl]methyl]acetamide N-[[(3S)-1-[(6-methoxy-1,3-benzo…

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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) 1.26 4.76 -45.94 2 6 1 61 307.37 5 ↓

Analogs

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Popular Name: N-[[(3R)-1-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]pyrrolidin-3-yl]methyl]acetamide N-[[(3R)-1-[(6-methoxy-1,3-benzo…

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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) 1.26 4.65 -45.64 2 6 1 61 307.37 5 ↓

Analogs

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Popular Name: (2S,4R)-4-amino-N,N-diethyl-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]pyrrolidine-2-carboxamide (2S,4R)-4-amino-N,N-diethyl-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) 0.50 2.71 -69.33 3 7 1 79 350.439 6 ↓

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filter.purchasability = annotated
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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 = 9508 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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