UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: ethyl ethyl

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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) 1.61 5.5 -13.07 0 7 0 81 268.298 6 ↓

Analogs

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Popular Name: S-[1-(4-methoxy-6-methyl-pyrimidin-2-yl)diazirin-3-yl] S-[1-(4-methoxy-6-methyl-pyrimid…

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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) 0.66 0.63 -17.49 2 7 0 98 239.26 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) 0.78 5.89 -13.94 0 8 0 98 310.335 7 ↓

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) 0.78 5.93 -14.02 0 8 0 98 310.335 7 ↓

Analogs

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Popular Name: (2S)-2-[1-(4-methoxy-6-methyl-pyrimidin-2-yl)diazirin-3-yl]sulfanyl-3-oxo-N-phenyl-butanamide (2S)-2-[1-(4-methoxy-6-methyl-py…

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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) 1.72 7.01 -14.53 1 8 0 101 371.422 7 ↓

Analogs

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Popular Name: (2R)-2-[1-(4-methoxy-6-methyl-pyrimidin-2-yl)diazirin-3-yl]sulfanyl-3-oxo-N-phenyl-butanamide (2R)-2-[1-(4-methoxy-6-methyl-py…

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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) 1.72 7.07 -14.8 1 8 0 101 371.422 7 ↓

Analogs

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Popular Name: 4-methoxy-2-[3-[1-(4-methoxy-6-methyl-pyrimidin-2-yl)diazirin-3-yl]disulfanyldiazirin-1-yl]-6-methyl 4-methoxy-2-[3-[1-(4-methoxy-6-m…

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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) 2.42 8.57 -19.66 0 10 0 110 390.454 7 ↓

Analogs

25490000
25490000

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Popular Name: 2-[1-(4-methoxy-6-methyl-pyrimidin-2-yl)diazirin-3-yl]sulfanylacetonitrile 2-[1-(4-methoxy-6-methyl-pyrimid…

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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) 1.17 5.31 -15.73 0 6 0 79 235.272 4 ↓

Analogs

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Popular Name: 6-[1-(2-amino-5-ethyl-6-methyl-pyrimidin-4-yl)diazirin-3-yl]sulfanyl-N,N,N',N'-tetramethyl-1,3,5-tri 6-[1-(2-amino-5-ethyl-6-methyl-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) 2.95 13.39 -12.67 2 10 0 117 374.478 6 ↓

Analogs

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Popular Name: 4-[1-(2-amino-5-ethyl-6-methyl-pyrimidin-4-yl)diazirin-3-yl]sulfanyl-6-chloro-N,N-dimethyl-1,3,5-tri 4-[1-(2-amino-5-ethyl-6-methyl-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) 2.99 10.72 -11.42 2 9 0 114 365.854 5 ↓

Analogs

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Popular Name: 5-butyl-4-[3-(2-chloro-6-methyl-pyrimidin-4-yl)sulfanyldiazirin-1-yl]-6-methyl-pyrimidin-2-amine 5-butyl-4-[3-(2-chloro-6-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) 3.93 9.68 -14.73 2 7 0 98 363.878 6 ↓

Parameters Provided:

ring.id = 258984
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 = 258984 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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