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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: N2-[(1S)-2-cyclopropyl-1-methyl-ethyl]quinoline-2,6-diamine N2-[(1S)-2-cyclopropyl-1-methyl-…

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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 6.25 -6.73 3 3 0 51 241.338 4 ↓
Mid Mid (pH 6-8) 2.66 6.7 -24.64 4 3 1 52 242.346 4 ↓

Analogs

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Popular Name: N2-[(1R)-2-cyclopropyl-1-methyl-ethyl]quinoline-2,6-diamine N2-[(1R)-2-cyclopropyl-1-methyl-…

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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 6.34 -6.71 3 3 0 51 241.338 4 ↓
Mid Mid (pH 6-8) 2.66 6.79 -24.72 4 3 1 52 242.346 4 ↓

Analogs

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Popular Name: N-[(1S)-2-cyclopropyl-1-methyl-ethyl]quinolin-2-amine N-[(1S)-2-cyclopropyl-1-methyl-e…

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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) 3.61 8.38 -6.63 1 2 0 25 226.323 4 ↓
Mid Mid (pH 6-8) 3.61 8.82 -24.9 2 2 1 26 227.331 4 ↓

Analogs

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Popular Name: N-[(1R)-2-cyclopropyl-1-methyl-ethyl]quinolin-2-amine N-[(1R)-2-cyclopropyl-1-methyl-e…

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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) 3.61 8.47 -6.59 1 2 0 25 226.323 4 ↓
Mid Mid (pH 6-8) 3.61 8.9 -25.03 2 2 1 26 227.331 4 ↓

Analogs

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Popular Name: N-[(1S)-2-cyclopropyl-1-methyl-ethyl]-3-methyl-quinolin-2-amine N-[(1S)-2-cyclopropyl-1-methyl-e…

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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) 3.99 9.91 -23.23 2 2 1 26 241.358 4 ↓
Mid Mid (pH 6-8) 3.99 9.58 -6.53 1 2 0 25 240.35 4 ↓

Analogs

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Popular Name: N-[(1R)-2-cyclopropyl-1-methyl-ethyl]-3-methyl-quinolin-2-amine N-[(1R)-2-cyclopropyl-1-methyl-e…

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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) 3.99 9.91 -23.24 2 2 1 26 241.358 4 ↓
Mid Mid (pH 6-8) 3.99 9.58 -6.53 1 2 0 25 240.35 4 ↓

Analogs

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Popular Name: N-[(1S)-2-cyclopropyl-1-methyl-ethyl]-6-nitro-quinolin-2-amine N-[(1S)-2-cyclopropyl-1-methyl-e…

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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) 3.55 9.08 -7.9 1 5 0 71 271.32 5 ↓

Analogs

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Popular Name: N-[(1R)-2-cyclopropyl-1-methyl-ethyl]-6-nitro-quinolin-2-amine N-[(1R)-2-cyclopropyl-1-methyl-e…

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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) 3.55 9.17 -7.8 1 5 0 71 271.32 5 ↓

Analogs

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Popular Name: 2-[[(1S)-2-cyclopropyl-1-methyl-ethyl]amino]quinoline-4-carbonitrile 2-[[(1S)-2-cyclopropyl-1-methyl-…

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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) 3.60 8.75 -5.5 1 3 0 49 251.333 4 ↓

Analogs

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Popular Name: 2-[[(1R)-2-cyclopropyl-1-methyl-ethyl]amino]quinoline-4-carbonitrile 2-[[(1R)-2-cyclopropyl-1-methyl-…

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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) 3.60 8.74 -5.48 1 3 0 49 251.333 4 ↓

Analogs

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Popular Name: N-[(1S)-1-(cyclopropylmethyl)propyl]quinolin-2-amine N-[(1S)-1-(cyclopropylmethyl)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) 4.15 9.39 -6.48 1 2 0 25 240.35 5 ↓
Mid Mid (pH 6-8) 4.15 9.68 -25.12 2 2 1 26 241.358 5 ↓

Analogs

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Popular Name: N-[(1R)-1-(cyclopropylmethyl)propyl]quinolin-2-amine N-[(1R)-1-(cyclopropylmethyl)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) 4.15 8.85 -6.53 1 2 0 25 240.35 5 ↓
Mid Mid (pH 6-8) 4.15 9.87 -25.09 2 2 1 26 241.358 5 ↓

Analogs

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Popular Name: N-[(1S)-1-(cyclopropylmethyl)propyl]-3-methyl-quinolin-2-amine N-[(1S)-1-(cyclopropylmethyl)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) 4.52 10.63 -22.89 2 2 1 26 255.385 5 ↓
Mid Mid (pH 6-8) 4.52 10.42 -5.69 1 2 0 25 254.377 5 ↓

Analogs

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Popular Name: N-[(1R)-1-(cyclopropylmethyl)propyl]-3-methyl-quinolin-2-amine N-[(1R)-1-(cyclopropylmethyl)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) 4.52 10.63 -22.9 2 2 1 26 255.385 5 ↓
Mid Mid (pH 6-8) 4.52 10.42 -5.7 1 2 0 25 254.377 5 ↓

Analogs

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Popular Name: N-[(1S)-1-(cyclopropylmethyl)propyl]-6-nitro-quinolin-2-amine N-[(1S)-1-(cyclopropylmethyl)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) 4.08 10.09 -7.96 1 5 0 71 285.347 6 ↓

Analogs

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Popular Name: N-[(1R)-1-(cyclopropylmethyl)propyl]-6-nitro-quinolin-2-amine N-[(1R)-1-(cyclopropylmethyl)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) 4.08 9.55 -7.87 1 5 0 71 285.347 6 ↓

Analogs

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Popular Name: 2-[[(1S)-2-cyclopropyl-1-methyl-ethyl]amino]quinoline-4-carbothioamide 2-[[(1S)-2-cyclopropyl-1-methyl-…

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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) 3.64 7.52 -12.08 3 3 0 51 285.416 5 ↓
Mid Mid (pH 6-8) 3.64 7.98 -35.92 4 3 1 52 286.424 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(1R)-2-cyclopropyl-1-methyl-ethyl]amino]quinoline-4-carbothioamide 2-[[(1R)-2-cyclopropyl-1-methyl-…

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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) 3.64 7.59 -11.85 3 3 0 51 285.416 5 ↓
Mid Mid (pH 6-8) 3.64 8.04 -36.05 4 3 1 52 286.424 5 ↓

Analogs

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Popular Name: 2-[[(1S)-1-(cyclopropylmethyl)propyl]amino]quinoline-4-carbothioamide 2-[[(1S)-1-(cyclopropylmethyl)pr…

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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) 4.18 8.53 -12.15 3 3 0 51 299.443 6 ↓
Mid Mid (pH 6-8) 4.18 8.98 -36.33 4 3 1 52 300.451 6 ↓

Analogs

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Popular Name: 2-[[(1R)-1-(cyclopropylmethyl)propyl]amino]quinoline-4-carbothioamide 2-[[(1R)-1-(cyclopropylmethyl)pr…

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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) 4.18 8.57 -11.82 3 3 0 51 299.443 6 ↓
Mid Mid (pH 6-8) 4.18 9.02 -36.14 4 3 1 52 300.451 6 ↓

Analogs

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Popular Name: 2-[[(1S)-2-cyclopropyl-1-methyl-ethyl]amino]quinoline-4-carboxylic 2-[[(1S)-2-cyclopropyl-1-methyl-…

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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) 3.42 9.28 -40.12 2 4 0 66 270.332 5 ↓
Mid Mid (pH 6-8) 3.42 8.84 -48.67 1 4 -1 65 269.324 5 ↓

Analogs

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Popular Name: 2-[[(1R)-2-cyclopropyl-1-methyl-ethyl]amino]quinoline-4-carboxylic 2-[[(1R)-2-cyclopropyl-1-methyl-…

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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) 3.42 9.35 -40.43 2 4 0 66 270.332 5 ↓
Mid Mid (pH 6-8) 3.42 8.92 -48.67 1 4 -1 65 269.324 5 ↓

Analogs

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Popular Name: N2-[(1S)-1-(cyclopropylmethyl)propyl]quinoline-2,6-diamine N2-[(1S)-1-(cyclopropylmethyl)pr…

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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) 3.20 7.26 -6.62 3 3 0 51 255.365 5 ↓
Mid Mid (pH 6-8) 3.20 7.56 -24.86 4 3 1 52 256.373 5 ↓

Analogs

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Popular Name: N2-[(1R)-1-(cyclopropylmethyl)propyl]quinoline-2,6-diamine N2-[(1R)-1-(cyclopropylmethyl)pr…

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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) 3.20 6.72 -6.66 3 3 0 51 255.365 5 ↓
Mid Mid (pH 6-8) 3.20 7.74 -24.8 4 3 1 52 256.373 5 ↓

Parameters Provided:

ring.id = 521966
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 = 521966 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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