UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

42432026
42432026

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Popular Name: (S)-benzothiophen-2-yl-(1-methylimidazol-2-yl)methanamine (S)-benzothiophen-2-yl-(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) 2.27 6.26 -30.12 3 3 1 45 244.343 2 ↓
Mid Mid (pH 6-8) 2.27 5.63 -10.17 2 3 0 44 243.335 2 ↓
Lo Low (pH 4.5-6) 2.27 5.97 -43.97 3 3 1 45 244.343 2 ↓

Analogs

42432025
42432025

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Popular Name: (R)-benzothiophen-2-yl-(1-methylimidazol-2-yl)methanamine (R)-benzothiophen-2-yl-(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) 2.27 6.23 -31.75 3 3 1 45 244.343 2 ↓
Mid Mid (pH 6-8) 2.27 5.64 -9.91 2 3 0 44 243.335 2 ↓
Lo Low (pH 4.5-6) 2.27 5.97 -44.28 3 3 1 45 244.343 2 ↓

Analogs

42432028
42432028

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Popular Name: (S)-benzothiophen-2-yl-(1-ethylimidazol-2-yl)methanamine (S)-benzothiophen-2-yl-(1-ethyli…

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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) 2.64 7.13 -30.73 3 3 1 45 258.37 3 ↓
Mid Mid (pH 6-8) 2.64 6.54 -9.73 2 3 0 44 257.362 3 ↓
Lo Low (pH 4.5-6) 2.64 6.88 -43.16 3 3 1 45 258.37 3 ↓

Analogs

42432027
42432027

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Popular Name: (R)-benzothiophen-2-yl-(1-ethylimidazol-2-yl)methanamine (R)-benzothiophen-2-yl-(1-ethyli…

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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) 2.64 6.9 -29.2 3 3 1 45 258.37 3 ↓
Mid Mid (pH 6-8) 2.64 6.4 -9.41 2 3 0 44 257.362 3 ↓
Lo Low (pH 4.5-6) 2.64 6.73 -43.65 3 3 1 45 258.37 3 ↓

Analogs

42432030
42432030

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Popular Name: (1R)-1-(benzothiophen-2-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine (1R)-1-(benzothiophen-2-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) 2.64 6.88 -28.31 2 3 1 31 258.37 3 ↓
Mid Mid (pH 6-8) 2.64 6.34 -10.99 1 3 0 30 257.362 3 ↓
Lo Low (pH 4.5-6) 2.64 7.69 -39.27 2 3 1 34 258.37 3 ↓

Analogs

42432029
42432029

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Popular Name: (1S)-1-(benzothiophen-2-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine (1S)-1-(benzothiophen-2-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) 2.64 6.93 -30.69 2 3 1 31 258.37 3 ↓
Mid Mid (pH 6-8) 2.64 6.32 -10.59 1 3 0 30 257.362 3 ↓
Lo Low (pH 4.5-6) 2.64 7.46 -39.12 2 3 1 34 258.37 3 ↓

Analogs

42432032
42432032

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Popular Name: (S)-benzothiophen-2-yl-(1-methylimidazol-2-yl)methanol (S)-benzothiophen-2-yl-(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) 2.23 5.42 -10.54 1 3 0 38 244.319 2 ↓
Mid Mid (pH 6-8) 2.23 6.07 -32.63 2 3 1 39 245.327 2 ↓

Analogs

42432031
42432031

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Popular Name: (R)-benzothiophen-2-yl-(1-methylimidazol-2-yl)methanol (R)-benzothiophen-2-yl-(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) 2.23 5.41 -10.5 1 3 0 38 244.319 2 ↓
Mid Mid (pH 6-8) 2.23 6.03 -32.27 2 3 1 39 245.327 2 ↓

Analogs

42432034
42432034

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Popular Name: (S)-benzothiophen-2-yl-(1-ethylimidazol-2-yl)methanol (S)-benzothiophen-2-yl-(1-ethyli…

Find On: PubMed — Wikipedia — Google

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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) 2.60 6.32 -10.02 1 3 0 38 258.346 3 ↓
Mid Mid (pH 6-8) 2.60 6.93 -31.57 2 3 1 39 259.354 3 ↓

Analogs

42432033
42432033

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Popular Name: (R)-benzothiophen-2-yl-(1-ethylimidazol-2-yl)methanol (R)-benzothiophen-2-yl-(1-ethyli…

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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) 2.60 6.17 -9.97 1 3 0 38 258.346 3 ↓
Mid Mid (pH 6-8) 2.60 6.7 -31.36 2 3 1 39 259.354 3 ↓

Parameters Provided:

ring.id = 617279
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 = 617279 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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