UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35500927
35500927

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Popular Name: (1S)-1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(3-furyl)-N-methyl-methanamine (1S)-1-(6-bromo-2,3-dihydro-1,4-…

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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) 2.47 5.64 -42.21 2 4 1 48 325.182 3 ↓
Hi High (pH 8-9.5) 2.47 4.74 -5.94 1 4 0 44 324.174 3 ↓

Analogs

35500926
35500926

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Popular Name: (1R)-1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(3-furyl)-N-methyl-methanamine (1R)-1-(6-bromo-2,3-dihydro-1,4-…

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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) 2.47 5.51 -41.72 2 4 1 48 325.182 3 ↓
Hi High (pH 8-9.5) 2.47 4.55 -5.92 1 4 0 44 324.174 3 ↓

Analogs

35500935
35500935

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Popular Name: (1S)-1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(2,5-dimethyl-3-furyl)-N-methyl-methanamine (1S)-1-(6-bromo-2,3-dihydro-1,4-…

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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) 2.91 7.05 -39.78 2 4 1 48 353.236 3 ↓
Hi High (pH 8-9.5) 2.91 5.77 -6.18 1 4 0 44 352.228 3 ↓

Analogs

35500934
35500934

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Popular Name: (1R)-1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(2,5-dimethyl-3-furyl)-N-methyl-methanamine (1R)-1-(6-bromo-2,3-dihydro-1,4-…

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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) 2.91 7.06 -39.64 2 4 1 48 353.236 3 ↓
Hi High (pH 8-9.5) 2.91 5.01 -6.72 1 4 0 44 352.228 3 ↓

Analogs

35500941
35500941

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Popular Name: (1S)-1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methyl-1-(2-methyl-3-furyl)methanamine (1S)-1-(6-bromo-2,3-dihydro-1,4-…

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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) 2.69 6.4 -39.71 2 4 1 48 339.209 3 ↓
Hi High (pH 8-9.5) 2.69 5.02 -5.94 1 4 0 44 338.201 3 ↓

Analogs

35500940
35500940

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Popular Name: (1R)-1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methyl-1-(2-methyl-3-furyl)methanamine (1R)-1-(6-bromo-2,3-dihydro-1,4-…

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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) 2.69 6.27 -39.74 2 4 1 48 339.209 3 ↓
Hi High (pH 8-9.5) 2.69 4.26 -6.44 1 4 0 44 338.201 3 ↓

Analogs

35501309
35501309

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Popular Name: (1S)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(3-furyl)-N-methyl-methanamine (1S)-1-(6-chloro-2,3-dihydro-1,4…

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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) 2.34 5.61 -42.46 2 4 1 48 280.731 3 ↓
Hi High (pH 8-9.5) 2.34 4.68 -6 1 4 0 44 279.723 3 ↓

Analogs

35501308
35501308

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Popular Name: (1R)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(3-furyl)-N-methyl-methanamine (1R)-1-(6-chloro-2,3-dihydro-1,4…

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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) 2.34 5.48 -42.02 2 4 1 48 280.731 3 ↓
Hi High (pH 8-9.5) 2.34 4.55 -5.93 1 4 0 44 279.723 3 ↓

Analogs

35501317
35501317

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Popular Name: (1S)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(2,5-dimethyl-3-furyl)-N-methyl-methanamine (1S)-1-(6-chloro-2,3-dihydro-1,4…

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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) 2.78 6.96 -40.06 2 4 1 48 308.785 3 ↓
Hi High (pH 8-9.5) 2.78 5.69 -6.19 1 4 0 44 307.777 3 ↓

Analogs

35501316
35501316

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Popular Name: (1R)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(2,5-dimethyl-3-furyl)-N-methyl-methanamine (1R)-1-(6-chloro-2,3-dihydro-1,4…

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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) 2.78 6.99 -39.98 2 4 1 48 308.785 3 ↓
Hi High (pH 8-9.5) 2.78 4.93 -6.64 1 4 0 44 307.777 3 ↓

Analogs

35501323
35501323

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Popular Name: (1S)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methyl-1-(2-methyl-3-furyl)methanamine (1S)-1-(6-chloro-2,3-dihydro-1,4…

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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 6.38 -40.01 2 4 1 48 294.758 3 ↓
Hi High (pH 8-9.5) 2.56 4.91 -5.97 1 4 0 44 293.75 3 ↓

Analogs

35501322
35501322

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Popular Name: (1R)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methyl-1-(2-methyl-3-furyl)methanamine (1R)-1-(6-chloro-2,3-dihydro-1,4…

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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 6.2 -40.04 2 4 1 48 294.758 3 ↓
Hi High (pH 8-9.5) 2.56 4.86 -6.28 1 4 0 44 293.75 3 ↓

Parameters Provided:

ring.id = 18233
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 = 18233 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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