UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: o-tolylmethyl o-tolylmethyl

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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) 1.48 5.68 -48.34 2 4 1 46 235.307 3 ↓
Mid Mid (pH 6-8) 1.48 4.39 -6.65 1 4 0 42 234.299 3 ↓

Analogs

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Popular Name: p-tolylmethyl p-tolylmethyl

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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) 1.53 5.75 -47.47 2 4 1 46 235.307 3 ↓
Mid Mid (pH 6-8) 1.53 4.46 -6.58 1 4 0 42 234.299 3 ↓

Analogs

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Popular Name: (2-fluorophenyl)methyl (2-fluorophenyl)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) 1.20 5.16 -50.92 2 4 1 46 239.27 3 ↓
Mid Mid (pH 6-8) 1.20 3.85 -8.12 1 4 0 42 238.262 3 ↓

Analogs

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Popular Name: (4-fluorophenyl)methyl (4-fluorophenyl)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) 1.25 5.14 -48.56 2 4 1 46 239.27 3 ↓
Mid Mid (pH 6-8) 1.25 3.84 -6.5 1 4 0 42 238.262 3 ↓

Analogs

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Popular Name: (4-ethylphenyl)methyl (4-ethylphenyl)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) 2.00 6.51 -47.26 2 4 1 46 249.334 4 ↓
Mid Mid (pH 6-8) 2.00 5.22 -6.36 1 4 0 42 248.326 4 ↓

Analogs

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Popular Name: (3-methoxyphenyl)methyl (3-methoxyphenyl)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) 1.12 4.37 -48.42 2 5 1 55 251.306 4 ↓
Mid Mid (pH 6-8) 1.12 3.08 -8.04 1 5 0 51 250.298 4 ↓

Analogs

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Popular Name: (4-methoxyphenyl)methyl (4-methoxyphenyl)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) 1.14 4.37 -48.79 2 5 1 55 251.306 4 ↓
Mid Mid (pH 6-8) 1.14 3.07 -7.56 1 5 0 51 250.298 4 ↓

Analogs

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Popular Name: (2-chlorophenyl)methyl (2-chlorophenyl)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) 1.71 5.58 -50.02 2 4 1 46 255.725 3 ↓
Mid Mid (pH 6-8) 1.71 4.29 -7.44 1 4 0 42 254.717 3 ↓

Analogs

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Popular Name: (3-chlorophenyl)methyl (3-chlorophenyl)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) 1.74 5.58 -47.67 2 4 1 46 255.725 3 ↓
Mid Mid (pH 6-8) 1.74 4.28 -6.52 1 4 0 42 254.717 3 ↓

Analogs

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Popular Name: (4-chlorophenyl)methyl (4-chlorophenyl)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) 1.76 5.59 -48 2 4 1 46 255.725 3 ↓
Mid Mid (pH 6-8) 1.76 4.29 -6.05 1 4 0 42 254.717 3 ↓

Analogs

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Popular Name: (4-isopropylphenyl)methyl (4-isopropylphenyl)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) 2.60 7 -47.2 2 4 1 46 263.361 4 ↓
Mid Mid (pH 6-8) 2.60 5.7 -6.24 1 4 0 42 262.353 4 ↓

Analogs

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Popular Name: (2-ethoxyphenyl)methyl (2-ethoxyphenyl)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) 1.47 5.38 -50.16 2 5 1 55 265.333 5 ↓
Mid Mid (pH 6-8) 1.47 4.08 -8.62 1 5 0 51 264.325 5 ↓

Analogs

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Popular Name: benzyl 4-{[(2-bromoethyl)(tert-butoxycarbonyl)amino]sulfonyl}tetrahydro-1(2H)-pyrazinecarboxylate benzyl 4-{[(2-bromoethyl)(tert-b…

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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) 2.83 8.27 -12 0 9 0 96 506.419 9 ↓

Analogs

39952168
39952168

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Popular Name: 4-N-Cbz-2-Hydroxymethyl-piperazine 4-N-Cbz-2-Hydroxymethyl-piperazine

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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) 0.79 1.16 -9.18 2 5 0 62 250.298 4 ↓

Analogs

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Popular Name: 4-N-Cbz-2-Hydroxymethyl-piperazine 4-N-Cbz-2-Hydroxymethyl-piperazine

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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) 0.79 1.26 -7.84 2 5 0 62 250.298 4 ↓

Parameters Provided:

ring.id = 32302
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 = 32302 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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