UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-benzhydrylnaphthalene-1,2-diol 4-benzhydrylnaphthalene-1,2-diol

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q49PX0-1-V N1L (cluster #1 Of 1), Viral Viruses 600 0.35 Binding ≤ 10μM

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) 5.47 -0.78 -8.1 2 2 0 40 326.395 3 ↓

Analogs

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Popular Name: 4-[(E)-[2-[(3,4-dihydroxyphenyl)methyleneamino]phenyl]iminomethyl]benzene-1,2-diol 4-[(E)-[2-[(3,4-dihydroxyphenyl)…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q49PX0-1-V N1L (cluster #1 Of 1), Viral Viruses 1300 0.32 Binding ≤ 10μM

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) 3.02 1.42 -14.56 4 6 0 106 348.358 4 ↓
Lo Low (pH 4.5-6) 3.02 1.78 -39.59 5 6 1 107 349.366 4 ↓

Analogs

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Popular Name: 1,2,3-trimethoxy-7-(3,4,5-trimethoxyphenyl)naphthalene 1,2,3-trimethoxy-7-(3,4,5-trimet…

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q49PX0-1-V N1L (cluster #1 Of 1), Viral Viruses 900 0.30 Binding ≤ 10μM

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) 4.35 3.69 -13.3 0 6 0 55 384.428 7 ↓

Analogs

4557367
4557367
1504303
1504303

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Popular Name: (S)-(-)-2-Hydroxy-2'-methoxy-1,1'-bi-naphthol (S)-(-)-2-Hydroxy-2'-methoxy-1,1…

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And 5 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q49PX0-1-V N1L (cluster #1 Of 1), Viral Viruses 3600 0.33 Binding ≤ 10μM

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) 5.79 0.28 -9.71 1 2 0 29 300.357 2 ↓

Analogs

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Popular Name: 4-[bis(4-hydroxy-3-methoxy-phenyl)methyl]-2-methoxy-phenol 4-[bis(4-hydroxy-3-methoxy-pheny…

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q49PX0-1-V N1L (cluster #1 Of 1), Viral Viruses 8800 0.25 Binding ≤ 10μM

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) 3.11 -2.28 -13 3 6 0 88 382.412 6 ↓

Analogs

32162511
32162511

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Popular Name: 2,6-dimethoxy-4-[2-(4-methoxyphenyl)ethyl]phenol 2,6-dimethoxy-4-[2-(4-methoxyphe…

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q49PX0-1-V N1L (cluster #1 Of 1), Viral Viruses 7500 0.34 Binding ≤ 10μM

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) 3.33 0.73 -10.13 1 4 0 47 288.343 6 ↓

Analogs

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Popular Name: 4-benzhydryl-2-methoxy-naphthalen-1-ol 4-benzhydryl-2-methoxy-naphthale…

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q49PX0-1-V N1L (cluster #1 Of 1), Viral Viruses 2000 0.31 Binding ≤ 10μM

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) 5.78 1.17 -7.6 1 2 0 29 340.422 4 ↓

Analogs

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Popular Name: 1-(4-methoxyphenyl)-1-phenyl-N-(p-tolyl)methanimine 1-(4-methoxyphenyl)-1-phenyl-N-(…

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q49PX0-1-V N1L (cluster #1 Of 1), Viral Viruses 1700 0.35 Binding ≤ 10μM

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) 5.64 10.57 -6.97 0 2 0 22 301.389 4 ↓

Parameters Provided:

annotation.name = Q49PX0_9POXV
anotation.type = B10
page.format = summary
page.num = 1
filter.purchasability = purchasable

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 note AS n ON ci.sub_id_fk=n.sub_id_fk INNER JOIN annotation AS a ON n.anno_id_fk=a.anno_id  WHERE c.free = 1 AND a.short_desc LIKE 'Q49PX0\\_9POXV' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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//zinc12.docking.org/results/combination?annotation.name=Q49PX0_9POXV&filter.purchasability=purchasable

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