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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35499424
35499424

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Popular Name: (1R)-1-(benzothiophen-3-yl)-N-methyl-1-(5-nitro-2-furyl)methanamine (1R)-1-(benzothiophen-3-yl)-N-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) 3.51 8.29 -53.13 2 5 1 76 289.336 4 ↓
Hi High (pH 8-9.5) 3.51 7.19 -9.97 1 5 0 71 288.328 4 ↓

Analogs

35499422
35499422

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Popular Name: (1S)-1-(benzothiophen-3-yl)-N-methyl-1-(5-nitro-2-furyl)methanamine (1S)-1-(benzothiophen-3-yl)-N-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) 3.51 8.11 -52.23 2 5 1 76 289.336 4 ↓
Hi High (pH 8-9.5) 3.51 7.04 -10.55 1 5 0 71 288.328 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(benzothiophen-3-yl)-N-methyl-1-(5-methyl-2-furyl)methanamine (1R)-1-(benzothiophen-3-yl)-N-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) 3.65 8.41 -41.16 2 2 1 30 258.366 3 ↓
Hi High (pH 8-9.5) 3.65 7.17 -6.35 1 2 0 25 257.358 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(benzothiophen-3-yl)-N-methyl-1-(5-methyl-2-furyl)methanamine (1S)-1-(benzothiophen-3-yl)-N-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) 3.65 8.23 -40.3 2 2 1 30 258.366 3 ↓
Hi High (pH 8-9.5) 3.65 7.29 -5.81 1 2 0 25 257.358 3 ↓

Analogs

35499439
35499439

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Popular Name: (1R)-1-(benzothiophen-3-yl)-1-(2-furyl)-N-methyl-methanamine (1R)-1-(benzothiophen-3-yl)-1-(2…

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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) 3.43 7.59 -41.47 2 2 1 30 244.339 3 ↓
Hi High (pH 8-9.5) 3.43 6.5 -5.65 1 2 0 25 243.331 3 ↓

Analogs

35499437
35499437

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Popular Name: (1S)-1-(benzothiophen-3-yl)-1-(2-furyl)-N-methyl-methanamine (1S)-1-(benzothiophen-3-yl)-1-(2…

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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) 3.43 7.4 -40.71 2 2 1 30 244.339 3 ↓
Hi High (pH 8-9.5) 3.43 6.33 -5.94 1 2 0 25 243.331 3 ↓

Analogs

35499459
35499459

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Popular Name: (1R)-1-(benzothiophen-3-yl)-N-methyl-1-(3-methyl-2-furyl)methanamine (1R)-1-(benzothiophen-3-yl)-N-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) 3.80 8.06 -40.9 2 2 1 30 258.366 3 ↓
Hi High (pH 8-9.5) 3.80 6.62 -5.65 1 2 0 25 257.358 3 ↓

Analogs

35499458
35499458

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Popular Name: (1S)-1-(benzothiophen-3-yl)-N-methyl-1-(3-methyl-2-furyl)methanamine (1S)-1-(benzothiophen-3-yl)-N-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) 3.80 7.78 -40.19 2 2 1 30 258.366 3 ↓
Hi High (pH 8-9.5) 3.80 6.92 -5.94 1 2 0 25 257.358 3 ↓

Analogs

35499465
35499465

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Popular Name: (1R)-1-(benzothiophen-3-yl)-1-(5-bromo-2-furyl)-N-methyl-methanamine (1R)-1-(benzothiophen-3-yl)-1-(5…

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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) 4.36 8.32 -43.45 2 2 1 30 323.235 3 ↓
Hi High (pH 8-9.5) 4.36 7.23 -5.36 1 2 0 25 322.227 3 ↓

Analogs

35499464
35499464

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Popular Name: (1S)-1-(benzothiophen-3-yl)-1-(5-bromo-2-furyl)-N-methyl-methanamine (1S)-1-(benzothiophen-3-yl)-1-(5…

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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) 4.36 8.13 -42.6 2 2 1 30 323.235 3 ↓
Hi High (pH 8-9.5) 4.36 7.06 -5.7 1 2 0 25 322.227 3 ↓

Parameters Provided:

ring.id = 17913
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 = 17913 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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