UCSF
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Analogs

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Popular Name: 5-(cyclohexylcarbamoylamino)-N-isobutyl-2-pyrrolidino-benzamide 5-(cyclohexylcarbamoylamino)-N-i…

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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) 4.10 -4.2 -13.77 3 6 0 73 386.54 6 ↓

Analogs

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Popular Name: 5-(cyclohexylcarbamoylamino)-N-isopropyl-2-pyrrolidino-benzamide 5-(cyclohexylcarbamoylamino)-N-i…

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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) 3.65 -4.27 -14.12 3 6 0 73 372.513 5 ↓

Analogs

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Popular Name: 5-(cyclohexylcarbamoylamino)-N-[(1R)-1-methylpropyl]-2-pyrrolidino-benzamide 5-(cyclohexylcarbamoylamino)-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) 4.19 -3.9 -14.01 3 6 0 73 386.54 6 ↓

Analogs

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Popular Name: 5-(cyclohexylcarbamoylamino)-N-[(1S)-1-methylpropyl]-2-pyrrolidino-benzamide 5-(cyclohexylcarbamoylamino)-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) 4.19 -3.87 -13.85 3 6 0 73 386.54 6 ↓

Analogs

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Popular Name: 5-(cyclohexylcarbamoylamino)-N,N-diethyl-2-pyrrolidino-benzamide 5-(cyclohexylcarbamoylamino)-N,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) 3.50 7.59 -18.64 2 6 0 65 386.54 6 ↓

Parameters Provided:

ring.id = 686
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 = 686 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=686&filter.purchasability=annotated

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