UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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) 2.55 4.16 -15 1 6 0 73 344.19 5 ↓

Analogs

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Popular Name: [5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]methanamine [5-(phenoxymethyl)-1,3,4-thiadia…

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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) 0.83 1.92 -53.22 3 4 1 63 222.293 4 ↓
Mid Mid (pH 6-8) 0.83 1.51 -10.69 2 4 0 61 221.285 4 ↓

Analogs

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Popular Name: 3-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]propanoic 3-[5-(phenoxymethyl)-1,3,4-thiad…

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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) 1.34 6 -46.94 0 5 -1 75 263.298 6 ↓

Analogs

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Popular Name: 4-[(5-amino-1,3,4-thiadiazol-2-yl)methoxy]benzenesulfonic acid 4-[(5-amino-1,3,4-thiadiazol-2-y…

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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) -1.49 -8.33 -49.67 2 7 -1 118 286.314 4 ↓

Analogs

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Popular Name: 1-[4-methoxy-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methoxy]phenyl]ethanone 1-[4-methoxy-2-[(5-methylsulfany…

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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) 2.52 6.25 -16.32 0 5 0 61 310.4 6 ↓

Analogs

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Popular Name: N-ethyl-3-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methoxy]benzamide N-ethyl-3-methyl-2-[(5-methylsul…

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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) 3.10 6.2 -16.1 1 5 0 64 323.443 6 ↓

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) 3.49 7.08 -12.99 0 5 0 61 330.818 6 ↓

Analogs

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Popular Name: 1-[3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methoxy]phenyl]-3-propyl-urea 1-[3-[(5-methylsulfanyl-1,3,4-th…

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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) 3.00 4.33 -17.14 2 6 0 76 338.458 7 ↓

Analogs

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Popular Name: 3-bromo-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methoxy]benzaldehyde 3-bromo-4-[(5-methylsulfanyl-1,3…

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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) 3.16 5.57 -15.83 0 4 0 52 345.243 5 ↓

Analogs

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Popular Name: 5-bromo-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methoxy]benzaldehyde 5-bromo-2-[(5-methylsulfanyl-1,3…

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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) 3.16 5.58 -11.61 0 4 0 52 345.243 5 ↓

Analogs

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Popular Name: 2-methylsulfanyl-5-[(3-nitrophenoxy)methyl]-1,3,4-thiadiazole 2-methylsulfanyl-5-[(3-nitrophen…

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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) 2.57 5.87 -14.09 0 6 0 81 283.334 5 ↓

Analogs

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Popular Name: N-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methoxy]phenyl]acetamide N-[2-[(5-methylsulfanyl-1,3,4-th…

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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) 1.81 4.17 -12.95 1 5 0 64 295.389 5 ↓

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) 2.81 5.82 -10.94 0 5 0 61 296.373 6 ↓

Analogs

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Popular Name: 4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methoxy]-3-nitro-benzaldehyde 4-[(5-methylsulfanyl-1,3,4-thiad…

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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) 2.31 6.37 -17.17 0 7 0 98 311.344 6 ↓

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) 2.78 5.8 -13.6 0 5 0 61 296.373 6 ↓

Analogs

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Popular Name: 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methoxy]-5-nitro-benzaldehyde 2-[(5-methylsulfanyl-1,3,4-thiad…

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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) 2.31 5.67 -16.48 0 7 0 98 311.344 6 ↓

Analogs

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Popular Name: 3-ethoxy-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methoxy]benzonitrile 3-ethoxy-4-[(5-methylsulfanyl-1,…

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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) 2.36 6.38 -12.89 0 5 0 68 307.4 6 ↓

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) 3.41 6.37 -13.2 0 5 0 61 330.818 6 ↓

Analogs

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Popular Name: 2-[(4-methyl-2-nitro-phenoxy)methyl]-5-methylsulfanyl-1,3,4-thiadiazole 2-[(4-methyl-2-nitro-phenoxy)met…

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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) 2.97 7.3 -16.74 0 6 0 81 297.361 5 ↓

Analogs

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Popular Name: 3-chloro-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methoxy]benzonitrile 3-chloro-4-[(5-methylsulfanyl-1,…

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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) 3.00 6.11 -12.39 0 4 0 59 297.792 4 ↓

Analogs

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Popular Name: 2-[(2,6-dimethyl-3-nitro-phenoxy)methyl]-5-methylsulfanyl-1,3,4-thiadiazole 2-[(2,6-dimethyl-3-nitro-phenoxy…

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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) 3.35 7.28 -10.04 0 6 0 81 311.388 5 ↓

Analogs

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Popular Name: 4-methoxy-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methoxy]benzaldehyde 4-methoxy-2-[(5-methylsulfanyl-1…

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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) 2.41 4.28 -10.92 0 5 0 61 296.373 6 ↓

Analogs

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Popular Name: N-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methoxy]benzamide N-methyl-4-[(5-methylsulfanyl-1,…

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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) 1.83 3.46 -13.62 1 5 0 64 295.389 5 ↓

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) 3.18 6.53 -10.41 0 5 0 61 310.4 6 ↓

Analogs

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Popular Name: 2-methylsulfanyl-5-[(3-methylsulfonylphenoxy)methyl]-1,3,4-thiadiazole 2-methylsulfanyl-5-[(3-methylsul…

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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 2.7 -17.02 0 5 0 69 316.429 5 ↓

Analogs

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Popular Name: 2-[(2-methyl-5-nitro-phenoxy)methyl]-5-methylsulfanyl-1,3,4-thiadiazole 2-[(2-methyl-5-nitro-phenoxy)met…

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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) 2.97 6.61 -10.44 0 6 0 81 297.361 5 ↓

Analogs

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Popular Name: 2-[(2-methyl-3-nitro-phenoxy)methyl]-5-methylsulfanyl-1,3,4-thiadiazole 2-[(2-methyl-3-nitro-phenoxy)met…

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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 6.58 -13.27 0 6 0 81 297.361 5 ↓

Analogs

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Popular Name: 2-[(3-chloro-4-nitro-phenoxy)methyl]-5-methylsulfanyl-1,3,4-thiadiazole 2-[(3-chloro-4-nitro-phenoxy)met…

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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) 3.20 6.25 -12.92 0 6 0 81 317.779 5 ↓

Analogs

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Popular Name: 2-bromo-5-methoxy-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methoxy]benzaldehyde 2-bromo-5-methoxy-4-[(5-methylsu…

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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) 2.75 5.43 -13.62 0 5 0 61 375.269 6 ↓

Analogs

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Popular Name: 2-[(2,6-dibromophenoxy)methyl]-5-methylsulfanyl-1,3,4-thiadiazole 2-[(2,6-dibromophenoxy)methyl]-5…

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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) 4.16 6.65 -8.26 0 3 0 35 396.129 4 ↓

Analogs

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Popular Name: 2-[(3-fluoro-4-nitro-phenoxy)methyl]-5-methylsulfanyl-1,3,4-thiadiazole 2-[(3-fluoro-4-nitro-phenoxy)met…

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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) 2.69 5.9 -14.53 0 6 0 81 301.324 5 ↓

Analogs

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Popular Name: 4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methoxy]-3-nitro-benzonitrile 4-[(5-methylsulfanyl-1,3,4-thiad…

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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) 2.28 7.04 -19.19 0 7 0 105 308.344 5 ↓

Parameters Provided:

ring.id = 1788
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 1788 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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