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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: tetramethylBLAH tetramethylBLAH

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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) -1.64 -8.53 -15.67 0 12 0 118 386.408 0 ↓

Analogs

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Popular Name: 2-[(4-fluorophenyl)methyl]-5-[(2,4,6-trimethylphenyl)methyl]-1,2,5-thiadiazolidine 2-[(4-fluorophenyl)methyl]-5-[(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) 3.75 8.38 -15.11 0 4 0 41 362.47 4 ↓

Analogs

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Popular Name: 2-(o-tolylmethyl)-5-[(2,4,6-trimethylphenyl)methyl]-1,2,5-thiadiazolidine 2-(o-tolylmethyl)-5-[(2,4,6-trim…

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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) 3.98 8.76 -15.09 0 4 0 41 358.507 4 ↓

Analogs

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Popular Name: methyl methyl

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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) 3.31 8.16 -13.85 0 7 0 76 442.896 7 ↓

Analogs

3949632
3949632
3949620
3949620

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Popular Name: (4R)-[5-(4-fluorophenyl)-2-methyl-pyrazol-3-yl]-2-(2,2,2-trifluoroethyl)spiro[1,2,5-thiadiazolidine- (4R)-[5-(4-fluorophenyl)-2-methy…

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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) 5.20 8.75 -44.68 0 6 -1 69 533.571 4 ↓
Mid Mid (pH 6-8) 5.20 9.17 -18.06 1 6 0 67 534.579 4 ↓

Analogs

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Popular Name: N-[(4-fluorophenyl)methyl]-3-hydroxy-9-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-7-(4-methylpip N-[(4-fluorophenyl)methyl]-3-hyd…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50607-1-O Human Immunodeficiency Virus 1 (cluster #1 Of 10), Other Other 4 0.31 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50607 Z50607 Human Immunodeficiency Virus 1 3 0.31 Functional ≤ 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) 0.97 7.44 -73.94 3 12 1 132 546.605 5 ↓
Hi High (pH 8-9.5) 0.97 6.03 -79.39 1 12 -1 134 544.589 5 ↓
Mid Mid (pH 6-8) 0.97 5.09 -26.89 2 12 0 131 545.597 5 ↓

Parameters Provided:

ring.id = 4764
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 = 4764 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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