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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: (2R)-1-[2-furylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-3-isopropoxy-propan-2-ol (2R)-1-[2-furylmethyl-[(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) 1.70 7.07 -34.39 2 5 1 52 307.414 9 ↓
Hi High (pH 8-9.5) 1.70 4.65 -6.63 1 5 0 51 306.406 9 ↓

Analogs

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Popular Name: (2S)-1-[2-furylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-3-isopropoxy-propan-2-ol (2S)-1-[2-furylmethyl-[(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) 1.70 6.34 -35.3 2 5 1 52 307.414 9 ↓
Hi High (pH 8-9.5) 1.70 4.72 -7.96 1 5 0 51 306.406 9 ↓

Analogs

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Popular Name: (2R)-1-[2-furylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-3-isobutoxy-propan-2-ol (2R)-1-[2-furylmethyl-[(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) 2.08 7.82 -34.36 2 5 1 52 321.441 10 ↓
Hi High (pH 8-9.5) 2.08 5.35 -10.18 1 5 0 51 320.433 10 ↓

Analogs

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Popular Name: (2S)-1-[2-furylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-3-isobutoxy-propan-2-ol (2S)-1-[2-furylmethyl-[(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) 2.08 7.07 -35.19 2 5 1 52 321.441 10 ↓
Hi High (pH 8-9.5) 2.08 5.61 -6.81 1 5 0 51 320.433 10 ↓

Analogs

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Popular Name: (2R)-1-tert-butoxy-3-[2-furylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]propan-2-ol (2R)-1-tert-butoxy-3-[2-furylmet…

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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) 2.14 7.47 -34.33 2 5 1 52 321.441 9 ↓
Hi High (pH 8-9.5) 2.14 4.99 -10.3 1 5 0 51 320.433 9 ↓

Analogs

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Popular Name: (2S)-1-tert-butoxy-3-[2-furylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]propan-2-ol (2S)-1-tert-butoxy-3-[2-furylmet…

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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) 2.14 6.72 -35.18 2 5 1 52 321.441 9 ↓
Hi High (pH 8-9.5) 2.14 5.25 -6.9 1 5 0 51 320.433 9 ↓

Analogs

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Popular Name: [(2R)-3-[2-furylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-hydroxy-propyl] [(2R)-3-[2-furylmethyl-[(1-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) 1.97 8.75 -38.03 2 6 1 69 335.424 11 ↓
Hi High (pH 8-9.5) 1.97 6.34 -8.44 1 6 0 68 334.416 11 ↓

Analogs

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Popular Name: [(2S)-3-[2-furylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-hydroxy-propyl] [(2S)-3-[2-furylmethyl-[(1-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) 1.97 8.04 -38.72 2 6 1 69 335.424 11 ↓
Hi High (pH 8-9.5) 1.97 6.41 -10.09 1 6 0 68 334.416 11 ↓

Analogs

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Popular Name: (2S)-1-[2-furylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-3-prop-2-ynoxy-propan-2-ol (2S)-1-[2-furylmethyl-[(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) 1.12 7.49 -39.72 2 5 1 52 303.382 9 ↓
Hi High (pH 8-9.5) 1.12 4.42 -10.59 1 5 0 51 302.374 9 ↓

Analogs

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Popular Name: (2R)-1-[2-furylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-3-prop-2-ynoxy-propan-2-ol (2R)-1-[2-furylmethyl-[(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) 1.12 6.18 -40.14 2 5 1 52 303.382 9 ↓
Hi High (pH 8-9.5) 1.12 4.7 -10.96 1 5 0 51 302.374 9 ↓

Analogs

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Popular Name: 2,4-dimethyl-3-[5-[[(1-methylpyrrol-2-yl)methyl-propyl-amino]methyl]-2-furyl]penta-1,4-dien-3-ol 2,4-dimethyl-3-[5-[[(1-methylpyr…

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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 10.52 -39.57 2 4 1 43 343.491 9 ↓
Hi High (pH 8-9.5) 4.52 7.98 -7.25 1 4 0 42 342.483 9 ↓

Analogs

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Popular Name: 2,6-dimethyl-4-[5-[[(1-methylpyrrol-2-yl)methyl-propyl-amino]methyl]-2-furyl]hepta-2,5-dien-4-ol 2,6-dimethyl-4-[5-[[(1-methylpyr…

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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) 5.48 12.02 -37.81 2 4 1 43 371.545 9 ↓
Hi High (pH 8-9.5) 5.48 10.13 -7.18 1 4 0 42 370.537 9 ↓

Analogs

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Popular Name: (1S)-1-(2-furyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine (1S)-1-(2-furyl)-N-[(1-methylpyr…

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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) 1.93 6.31 -39.01 2 3 1 35 205.281 4 ↓
Hi High (pH 8-9.5) 1.93 5.08 -6.12 1 3 0 30 204.273 4 ↓

Analogs

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Popular Name: (1R)-1-(2-furyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine (1R)-1-(2-furyl)-N-[(1-methylpyr…

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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) 1.93 6.31 -38.91 2 3 1 35 205.281 4 ↓
Hi High (pH 8-9.5) 1.93 5.1 -6.82 1 3 0 30 204.273 4 ↓

Analogs

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Popular Name: (1R)-1-(5-methyl-2-furyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine (1R)-1-(5-methyl-2-furyl)-N-[(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) 2.15 7.13 -38.73 2 3 1 35 219.308 4 ↓
Hi High (pH 8-9.5) 2.15 5.93 -7.1 1 3 0 30 218.3 4 ↓

Analogs

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Popular Name: (1S)-1-(5-methyl-2-furyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine (1S)-1-(5-methyl-2-furyl)-N-[(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) 2.15 7.14 -38.87 2 3 1 35 219.308 4 ↓
Hi High (pH 8-9.5) 2.15 5.9 -6.38 1 3 0 30 218.3 4 ↓

Parameters Provided:

ring.id = 45543
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 = 45543 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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