UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-(2-isopropyl-3-methyl-phenyl)-1-(2-morpholinoethyl)thiourea 1-[(3,4-dimethoxyphenyl)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) 3.91 11.24 -14.09 1 6 0 46 471.667 11 ↓
Mid Mid (pH 6-8) 3.91 13.5 -66.62 2 6 1 47 472.675 11 ↓

Analogs

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Popular Name: 3-[2-chloro-5-(trifluoromethyl)phenyl]-1-[(2-fluorophenyl)methyl]-1-(2-morpholinoethyl)thiourea 3-[2-chloro-5-(trifluoromethyl)p…

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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) 4.49 11.19 -13.06 1 4 0 28 475.939 9 ↓
Mid Mid (pH 6-8) 4.49 13.53 -40.93 2 4 1 29 476.947 9 ↓

Analogs

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Popular Name: 3-(5-chloro-2-methoxy-phenyl)-1-[(3,4-dimethoxyphenyl)methyl]-1-(2-morpholinoethyl)thiourea 3-(5-chloro-2-methoxy-phenyl)-1-…

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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) 3.18 8.61 -16.57 1 7 0 55 480.03 11 ↓
Mid Mid (pH 6-8) 3.18 10.95 -67.65 2 7 1 57 481.038 11 ↓

Analogs

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Popular Name: 3-(3,4-dichlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-1-(2-morpholinoethyl)thiourea 3-(3,4-dichlorophenyl)-1-[(3,4-d…

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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 9.64 -15.56 1 6 0 46 484.449 10 ↓
Mid Mid (pH 6-8) 3.80 11.99 -71.77 2 6 1 47 485.457 10 ↓

Analogs

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Popular Name: N'-(2-chlorophenyl)-N-[(2-fluorophenyl)methyl]-N-(2-morpholinoethyl)-1-sulfanyl-formamidine N'-(2-chlorophenyl)-N-[(2-fluoro…

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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) 3.61 10.22 -12.94 1 4 0 28 407.942 8 ↓
Hi High (pH 8-9.5) 4.29 9.37 -49.86 0 4 -1 28 406.934 7 ↓

Analogs

33699298
33699298
33713676
33713676

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Popular Name: N-[(2-fluorophenyl)methyl]-N-(2-morpholinoethyl)-N'-(o-tolyl)-1-sulfanyl-formamidine N-[(2-fluorophenyl)methyl]-N-(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) 3.39 10.36 -14.27 1 4 0 28 387.524 8 ↓

Analogs

33717177
33717177
33729284
33729284
34690991
34690991
34846816
34846816

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Popular Name: N-[(2-fluorophenyl)methyl]-N'-(2-methoxyphenyl)-N-(2-morpholinoethyl)-1-sulfanyl-formamidine N-[(2-fluorophenyl)methyl]-N'-(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) 2.99 8.96 -13.6 1 5 0 37 403.523 9 ↓

Analogs

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Popular Name: N'-(2-ethylphenyl)-N-[(2-fluorophenyl)methyl]-N-(2-morpholinoethyl)-1-sulfanyl-formamidine N'-(2-ethylphenyl)-N-[(2-fluorop…

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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) 3.85 11.13 -13.97 1 4 0 28 401.551 9 ↓

Parameters Provided:

ring.id = 13505
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 = 13505 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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