UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: amino-(4-ethylphenyl)-dioxo-(p-tolylmethyl)BLAHcarbonitrile amino-(4-ethylphenyl)-dioxo-(p-t…

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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) 5.22 10.45 -16.28 2 6 0 96 483.593 4 ↓

Analogs

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Popular Name: amino-(4-ethylphenyl)-dioxo-(p-tolylmethyl)BLAHcarbonitrile amino-(4-ethylphenyl)-dioxo-(p-t…

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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) 5.22 10.56 -17.66 2 6 0 96 483.593 4 ↓

Analogs

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Popular Name: amino-(3-hydroxyphenyl)-dioxo-(p-tolylmethyl)BLAHcarbonitrile amino-(3-hydroxyphenyl)-dioxo-(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) 3.80 6.28 -18.25 3 7 0 117 471.538 3 ↓

Analogs

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Popular Name: amino-(3-hydroxyphenyl)-dioxo-(p-tolylmethyl)BLAHcarbonitrile amino-(3-hydroxyphenyl)-dioxo-(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) 3.80 6.27 -20.02 3 7 0 117 471.538 3 ↓

Analogs

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Popular Name: amino-(4-fluorophenyl)-[(4-methoxyphenyl)methyl]-dioxo-BLAHcarbonitrile amino-(4-fluorophenyl)-[(4-metho…

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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) 4.08 7.82 -18.21 2 7 0 106 489.528 4 ↓

Analogs

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Popular Name: amino-(4-fluorophenyl)-[(4-methoxyphenyl)methyl]-dioxo-BLAHcarbonitrile amino-(4-fluorophenyl)-[(4-metho…

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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) 4.08 7.82 -18.99 2 7 0 106 489.528 4 ↓

Analogs

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Popular Name: amino-(3-fluorophenyl)-(o-tolylmethyl)-dioxo-BLAHcarbonitrile amino-(3-fluorophenyl)-(o-tolylm…

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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) 4.40 9.07 -18.71 2 6 0 96 473.529 3 ↓

Analogs

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Popular Name: amino-(3-fluorophenyl)-(o-tolylmethyl)-dioxo-BLAHcarbonitrile amino-(3-fluorophenyl)-(o-tolylm…

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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) 4.40 9.1 -19.34 2 6 0 96 473.529 3 ↓

Analogs

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Popular Name: amino-(3,4-dihydroxyphenyl)-(o-tolylmethyl)-dioxo-BLAHcarbonitrile amino-(3,4-dihydroxyphenyl)-(o-t…

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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) 3.29 4.08 -20.5 4 8 0 137 487.537 3 ↓

Analogs

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Popular Name: amino-(3,4-dihydroxyphenyl)-(o-tolylmethyl)-dioxo-BLAHcarbonitrile amino-(3,4-dihydroxyphenyl)-(o-t…

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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) 3.29 4.09 -22.12 4 8 0 137 487.537 3 ↓

Analogs

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Popular Name: amino-(3-hydroxyphenyl)-[(3-methoxyphenyl)methyl]-dioxo-BLAHcarbonitrile amino-(3-hydroxyphenyl)-[(3-meth…

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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) 3.38 4.91 -20.68 3 8 0 126 487.537 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: amino-(3-hydroxyphenyl)-[(3-methoxyphenyl)methyl]-dioxo-BLAHcarbonitrile amino-(3-hydroxyphenyl)-[(3-meth…

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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) 3.38 4.9 -23.52 3 8 0 126 487.537 4 ↓

Parameters Provided:

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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 = 503556 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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