UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-(dimethylamino)-5-[(2,4-dimethylphenyl)carbamoylamino]-N-[(1S)-1-phenylethyl]benzamide 2-(dimethylamino)-5-[(2,4-dimeth…

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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) 5.15 10.81 -20.15 3 6 0 73 430.552 6 ↓

Analogs

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Popular Name: 2-(dimethylamino)-5-[(2,4-dimethylphenyl)carbamoylamino]-N-[(1R)-1-phenylethyl]benzamide 2-(dimethylamino)-5-[(2,4-dimeth…

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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) 5.15 10.82 -20.5 3 6 0 73 430.552 6 ↓

Analogs

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Popular Name: 5-[(3,4-difluorophenyl)carbamoylamino]-2-(dimethylamino)-N-[(1S)-1-phenylethyl]benzamide 5-[(3,4-difluorophenyl)carbamoyl…

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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) 4.58 10.41 -17.94 3 6 0 73 438.478 6 ↓

Analogs

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Popular Name: 5-[(3,4-difluorophenyl)carbamoylamino]-2-(dimethylamino)-N-[(1R)-1-phenylethyl]benzamide 5-[(3,4-difluorophenyl)carbamoyl…

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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) 4.58 10.4 -17.63 3 6 0 73 438.478 6 ↓

Analogs

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Popular Name: 5-[(3,4-difluorophenyl)carbamoylamino]-2-(dimethylamino)-N-(4-fluorobenzyl)benzamide 5-[(3,4-difluorophenyl)carbamoyl…

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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) 4.18 8.65 -20.48 3 6 0 73 442.441 6 ↓

Analogs

4369966
4369966

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Popular Name: benzamide, 3-[[[(4-chlorophenyl)amino]carbonyl]amino]-N-methyl-N-(phenylmethyl)- benzamide, 3-[[[(4-chlorophenyl)…

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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) 4.16 10.18 -21.02 2 5 0 61 393.874 5 ↓

Analogs

4367765
4367765
4420867
4420867

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Popular Name: benzamide, N-methyl-3-[[(phenylamino)carbonyl]amino]-N-(phenylmethyl)- benzamide, N-methyl-3-[[(phenyla…

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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) 3.48 9.59 -23.05 2 5 0 61 359.429 5 ↓

Analogs

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

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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) 4.14 10.08 -24.7 2 5 0 61 393.874 5 ↓

Analogs

14564925
14564925
4191214
4191214
4191219
4191219
4212612
4212612

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Popular Name: benzamide, 3-[[[(4-chlorophenyl)amino]carbonyl]amino]-N-(1-phenylethyl)- benzamide, 3-[[[(4-chlorophenyl)…

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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) 4.95 9.19 -19.93 3 5 0 70 393.874 5 ↓

Analogs

4191214
4191214
4191219
4191219
4212612
4212612

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Popular Name: benzamide, 3-[[[(4-chlorophenyl)amino]carbonyl]amino]-N-(1-phenylethyl)- benzamide, 3-[[[(4-chlorophenyl)…

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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) 4.95 9.24 -20.04 3 5 0 70 393.874 5 ↓

Analogs

14564975
14564975
16568100
16568100
16568101
16568101
16568104
16568104
16568105
16568105

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Popular Name: benzamide, 3-[[(phenylamino)carbonyl]amino]-N-(1-phenylethyl)- benzamide, 3-[[(phenylamino)carb…

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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) 4.27 8.67 -20.53 3 5 0 70 359.429 5 ↓

Analogs

16568100
16568100
16568101
16568101
16568104
16568104
16568105
16568105
16568106
16568106

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Popular Name: benzamide, 3-[[(phenylamino)carbonyl]amino]-N-(1-phenylethyl)- benzamide, 3-[[(phenylamino)carb…

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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) 4.27 8.68 -20.39 3 5 0 70 359.429 5 ↓

Analogs

14565149
14565149
16568094
16568094
16568095
16568095
4191214
4191214
4191219
4191219

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

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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) 4.92 9.23 -21.93 3 5 0 70 393.874 5 ↓

Analogs

16568094
16568094
16568095
16568095
4191214
4191214
4191219
4191219
14565147
14565147

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

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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) 4.92 9.24 -21.92 3 5 0 70 393.874 5 ↓

Parameters Provided:

ring.id = 842
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 = 842 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=842&filter.purchasability=annotated

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