UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-(cyclopentylsulfanylmethyl)-N-methyl-thiadiazol-5-amine 4-(cyclopentylsulfanylmethyl)-N-…

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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) 2.64 4.47 -8.25 1 3 0 38 229.374 4 ↓

Analogs

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Popular Name: 4-(cyclopentylsulfanylmethyl)-N-ethyl-thiadiazol-5-amine 4-(cyclopentylsulfanylmethyl)-N-…

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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) 3.02 5.3 -7.39 1 3 0 38 243.401 5 ↓

Analogs

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

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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) 3.52 6.04 -7.15 1 3 0 38 257.428 6 ↓

Analogs

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Popular Name: 4-(cyclopentylsulfanylmethyl)thiadiazol-5-amine 4-(cyclopentylsulfanylmethyl)thi…

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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) 2.27 3.44 -8.18 2 3 0 52 215.347 3 ↓

Analogs

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Popular Name: [4-(cyclopentylsulfanylmethyl)thiadiazol-5-yl]hydrazine [4-(cyclopentylsulfanylmethyl)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) 2.03 3.23 -8.41 3 4 0 64 230.362 4 ↓
Lo Low (pH 4.5-6) 2.03 3.06 -55.98 4 4 1 65 231.37 4 ↓

Parameters Provided:

ring.id = 284708
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 = 284708 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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