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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: (2S)-N-cyclopropyl-N'-(3-furylmethyl)-N',2-dimethyl-propane-1,3-diamine (2S)-N-cyclopropyl-N'-(3-furylme…

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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) 1.58 5.35 -36.99 2 3 1 33 223.34 7 ↓
Mid Mid (pH 6-8) 1.58 7.4 -100.11 3 3 2 34 224.348 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclopropyl-N'-(3-furylmethyl)-N',2-dimethyl-propane-1,3-diamine (2R)-N-cyclopropyl-N'-(3-furylme…

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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) 1.58 5.29 -36.89 2 3 1 33 223.34 7 ↓
Mid Mid (pH 6-8) 1.58 7.35 -99.83 3 3 2 34 224.348 7 ↓

Analogs

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Popular Name: (3S)-N1-cyclopropyl-N3-(3-furylmethyl)-N3-methyl-butane-1,3-diamine (3S)-N1-cyclopropyl-N3-(3-furylm…

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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) 1.44 5.12 -38.32 2 3 1 33 223.34 7 ↓
Mid Mid (pH 6-8) 1.44 6.96 -105.25 3 3 2 34 224.348 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N1-cyclopropyl-N3-(3-furylmethyl)-N3-methyl-butane-1,3-diamine (3R)-N1-cyclopropyl-N3-(3-furylm…

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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) 1.44 5 -36.08 2 3 1 33 223.34 7 ↓
Mid Mid (pH 6-8) 1.44 7 -103.42 3 3 2 34 224.348 7 ↓

Analogs

42448219
42448219

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Popular Name: (2R)-1-(cyclopropylamino)-3-[3-furylmethyl(methyl)amino]propan-2-ol (2R)-1-(cyclopropylamino)-3-[3-f…

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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) 0.19 1.12 -38.64 3 4 1 53 225.312 7 ↓
Mid Mid (pH 6-8) 0.19 4.03 -41.6 3 4 1 57 225.312 7 ↓

Analogs

42448217
42448217

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Popular Name: (2S)-1-(cyclopropylamino)-3-[3-furylmethyl(methyl)amino]propan-2-ol (2S)-1-(cyclopropylamino)-3-[3-f…

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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) 0.19 1.15 -38.59 3 4 1 53 225.312 7 ↓
Mid Mid (pH 6-8) 0.19 4.09 -43 3 4 1 57 225.312 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-cyclopropyl-N-(3-furylmethyl)-N-methyl-propane-1,3-diamine N'-cyclopropyl-N-(3-furylmethyl)…

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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) 1.11 4.34 -37.14 2 3 1 33 209.313 7 ↓
Mid Mid (pH 6-8) 1.11 6.68 -101.56 3 3 2 34 210.321 7 ↓

Analogs

43802618
43802618
43802621
43802621
48913255
48913255
20211611
20211611
20211615
20211615

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(cyclopropylamino)-3-[methyl-[(2-methyl-3-furyl)methyl]amino]propan-2-ol (2R)-1-(cyclopropylamino)-3-[met…

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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) 0.42 2.06 -40.47 3 4 1 53 239.339 7 ↓
Mid Mid (pH 6-8) 0.42 4.93 -39.41 3 4 1 57 239.339 7 ↓

Analogs

43802618
43802618
43802621
43802621
48913255
48913255
20211611
20211611
20211615
20211615

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(cyclopropylamino)-3-[methyl-[(2-methyl-3-furyl)methyl]amino]propan-2-ol (2S)-1-(cyclopropylamino)-3-[met…

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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) 0.42 2.04 -40.06 3 4 1 53 239.339 7 ↓
Mid Mid (pH 6-8) 0.42 4.92 -40.26 3 4 1 57 239.339 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-cyclopropyl-N-methyl-N-[(2-methyl-3-furyl)methyl]propane-1,3-diamine N'-cyclopropyl-N-methyl-N-[(2-me…

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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) 1.33 5.13 -38.22 2 3 1 33 223.34 7 ↓
Mid Mid (pH 6-8) 1.33 7.48 -103.52 3 3 2 34 224.348 7 ↓

Parameters Provided:

ring.id = 222840
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 = 222840 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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