UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

31935654
31935654
31935664
31935664
1339770
1339770

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Popular Name: (1)Benzothieno(2,3-d)pyrimidin-4(3H)-one, 5,6,7,8-tetrahydro-2-(((phenylmethyl)amino)methyl)-; 2-(((Phenylmethyl)amino)methyl)-5,6,7,8-tetrahydro-(1)benzothieno(2,3-d)pyrimidin-4(3H)-one; 2-((N-Benzylamino)methyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo(b)thieno (1)Benzothieno(2,3-d)pyrimidin-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) 2.98 7.3 -11.83 2 4 0 58 325.437 4 ↓
Lo Low (pH 4.5-6) 2.98 8.14 -76.6 3 4 1 62 326.445 4 ↓

Analogs

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Popular Name: 2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-5,6,7,8-tetrahydro-3H-benzothiopheno[3,2 2-[[methyl-[[4-(trifluoromethyl)…

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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) 4.12 9.48 -13.65 1 4 0 49 407.461 5 ↓
Mid Mid (pH 6-8) 4.12 11.03 -77.01 2 4 1 50 408.469 5 ↓

Analogs

25461942
25461942
3540003
3540003

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Popular Name: (7S)-2-[[[4-(difluoromethoxy)-3-methoxy-phenyl]methyl-methyl-amino]methyl]-7-methyl-5,6,7,8-tetrahyd (7S)-2-[[[4-(difluoromethoxy)-3-…

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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) 3.91 8.55 -16.91 1 6 0 67 449.523 7 ↓
Mid Mid (pH 6-8) 3.91 10.14 -76.58 2 6 1 69 450.531 7 ↓

Analogs

3540003
3540003
25461936
25461936

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Popular Name: (7R)-2-[[[4-(difluoromethoxy)-3-methoxy-phenyl]methyl-methyl-amino]methyl]-7-methyl-5,6,7,8-tetrahyd (7R)-2-[[[4-(difluoromethoxy)-3-…

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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) 3.91 8.55 -16.94 1 6 0 67 449.523 7 ↓
Mid Mid (pH 6-8) 3.91 10.14 -76.59 2 6 1 69 450.531 7 ↓

Analogs

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Popular Name: 2-[2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyri 2-[2-[[ethyl-[(3-fluorophenyl)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) 3.60 11.59 -16.23 0 5 0 62 410.518 6 ↓

Parameters Provided:

ring.id = 23476
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 = 23476 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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