UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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Popular Name: 4-(o-tolylmethylsulfanylmethyl)thiadiazol-5-amine 4-(o-tolylmethylsulfanylmethyl)t…

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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) 2.87 5.01 -10 2 3 0 52 251.38 4 ↓

Analogs

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Popular Name: N-methyl-4-(o-tolylmethylsulfanylmethyl)thiadiazol-5-amine N-methyl-4-(o-tolylmethylsulfany…

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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) 3.24 6.04 -9.93 1 3 0 38 265.407 5 ↓

Analogs

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Popular Name: N-ethyl-4-(o-tolylmethylsulfanylmethyl)thiadiazol-5-amine N-ethyl-4-(o-tolylmethylsulfanyl…

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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) 3.62 6.87 -8.74 1 3 0 38 279.434 6 ↓

Analogs

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Popular Name: 4-(o-tolylmethylsulfanylmethyl)-N-propyl-thiadiazol-5-amine 4-(o-tolylmethylsulfanylmethyl)-…

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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) 4.12 7.63 -8.47 1 3 0 38 293.461 7 ↓

Analogs

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Popular Name: [4-(o-tolylmethylsulfanylmethyl)thiadiazol-5-yl]hydrazine [4-(o-tolylmethylsulfanylmethyl)…

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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) 2.63 4.8 -10.2 3 4 0 64 266.395 5 ↓
Lo Low (pH 4.5-6) 2.63 4.63 -59.18 4 4 1 65 267.403 5 ↓

Analogs

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Popular Name: 4-(m-tolylmethylsulfanylmethyl)thiadiazol-5-amine 4-(m-tolylmethylsulfanylmethyl)t…

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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) 2.89 5.15 -9.87 2 3 0 52 251.38 4 ↓

Analogs

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Popular Name: N-methyl-4-(m-tolylmethylsulfanylmethyl)thiadiazol-5-amine N-methyl-4-(m-tolylmethylsulfany…

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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) 3.27 6.18 -9.83 1 3 0 38 265.407 5 ↓

Analogs

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Popular Name: N-ethyl-4-(m-tolylmethylsulfanylmethyl)thiadiazol-5-amine N-ethyl-4-(m-tolylmethylsulfanyl…

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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) 3.64 7.01 -8.92 1 3 0 38 279.434 6 ↓

Analogs

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Popular Name: 4-(m-tolylmethylsulfanylmethyl)-N-propyl-thiadiazol-5-amine 4-(m-tolylmethylsulfanylmethyl)-…

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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) 4.14 7.77 -8.67 1 3 0 38 293.461 7 ↓

Analogs

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Popular Name: [4-(m-tolylmethylsulfanylmethyl)thiadiazol-5-yl]hydrazine [4-(m-tolylmethylsulfanylmethyl)…

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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) 2.65 4.94 -10.49 3 4 0 64 266.395 5 ↓
Lo Low (pH 4.5-6) 2.65 4.77 -58.33 4 4 1 65 267.403 5 ↓

Analogs

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Popular Name: 5-chloro-4-(m-tolylmethylsulfanylmethyl)thiadiazole 5-chloro-4-(m-tolylmethylsulfany…

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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) 4.08 7.75 -5.55 0 2 0 26 270.81 4 ↓

Parameters Provided:

ring.id = 371613
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 = 371613 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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