UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-(cyclohexanecarbonylamino)-N-[(2-hydroxyphenyl)methyl]-N-methyl-benzamide 3-(cyclohexanecarbonylamino)-N-[…

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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) 3.69 9.29 -20.5 2 5 0 70 366.461 5 ↓

Analogs

33862192
33862192
4371451
4371451
4417930
4417930
4419255
4419255

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Popular Name: benzamide, 3-[(cyclohexylcarbonyl)amino]-N-methyl-N-(phenylmethyl)- benzamide, 3-[(cyclohexylcarbony…

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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) 3.75 10.6 -22.93 1 4 0 49 350.462 5 ↓

Analogs

14561478
14561478
14561479
14561479
14561480
14561480

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Popular Name: cyclohexanecarboxylic acid, 2-[[[3-[[methyl(phenylmethyl)amino]carbonyl]phenyl]amino]carbonyl]- cyclohexanecarboxylic acid, 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) 2.86 10.6 -66.24 1 6 -1 90 393.463 6 ↓

Analogs

14561479
14561479
14561480
14561480
14561477
14561477

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Popular Name: cyclohexanecarboxylic acid, 2-[[[3-[[methyl(phenylmethyl)amino]carbonyl]phenyl]amino]carbonyl]- cyclohexanecarboxylic acid, 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) 2.86 10.86 -66.59 1 6 -1 90 393.463 6 ↓

Analogs

14561480
14561480
14561477
14561477
14561478
14561478

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Popular Name: cyclohexanecarboxylic acid, 2-[[[3-[[methyl(phenylmethyl)amino]carbonyl]phenyl]amino]carbonyl]- cyclohexanecarboxylic acid, 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) 2.86 10.83 -78.79 1 6 -1 90 393.463 6 ↓

Analogs

14561477
14561477
14561478
14561478
14561479
14561479

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Popular Name: cyclohexanecarboxylic acid, 2-[[[3-[[methyl(phenylmethyl)amino]carbonyl]phenyl]amino]carbonyl]- cyclohexanecarboxylic acid, 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) 2.86 10.57 -87.34 1 6 -1 90 393.463 6 ↓

Analogs

14565051
14565051
16568013
16568013
16568014
16568014
33684422
33684422
33880201
33880201

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Popular Name: benzamide, 3-[(cyclohexylcarbonyl)amino]-N-(1-phenylethyl)- benzamide, 3-[(cyclohexylcarbony…

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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) 4.53 9.66 -21.93 2 4 0 58 350.462 5 ↓

Analogs

16568013
16568013
16568014
16568014
33684422
33684422
33880201
33880201
33880202
33880202

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Popular Name: benzamide, 3-[(cyclohexylcarbonyl)amino]-N-(1-phenylethyl)- benzamide, 3-[(cyclohexylcarbony…

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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) 4.53 9.67 -21.7 2 4 0 58 350.462 5 ↓

Analogs

14565096
14565096
14565098
14565098
14565100
14565100

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Popular Name: cyclohexanecarboxylic acid, 2-[[[3-[[(1-phenylethyl)amino]carbonyl]phenyl]amino]carbonyl]- cyclohexanecarboxylic acid, 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) 3.64 9.72 -83.2 2 6 -1 98 393.463 6 ↓

Analogs

14565098
14565098
14565100
14565100
14565094
14565094

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Popular Name: cyclohexanecarboxylic acid, 2-[[[3-[[(1-phenylethyl)amino]carbonyl]phenyl]amino]carbonyl]- cyclohexanecarboxylic acid, 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) 3.64 9.72 -83.07 2 6 -1 98 393.463 6 ↓

Analogs

14565100
14565100
14565094
14565094
14565096
14565096

Draw Identity 99% 90% 80% 70%

Popular Name: cyclohexanecarboxylic acid, 2-[[[3-[[(1-phenylethyl)amino]carbonyl]phenyl]amino]carbonyl]- cyclohexanecarboxylic acid, 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) 3.64 9.96 -76.79 2 6 -1 98 393.463 6 ↓

Analogs

14565094
14565094
14565096
14565096
14565098
14565098

Draw Identity 99% 90% 80% 70%

Popular Name: cyclohexanecarboxylic acid, 2-[[[3-[[(1-phenylethyl)amino]carbonyl]phenyl]amino]carbonyl]- cyclohexanecarboxylic acid, 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) 3.64 9.99 -75.61 2 6 -1 98 393.463 6 ↓

Parameters Provided:

ring.id = 113902
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 = 113902 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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