UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

19908497
19908497
38342156
38342156

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Popular Name: 5-[cyclopentyl(ethyl)amino]-1,3,4-thiadiazole-2-thiol 5-[cyclopentyl(ethyl)amino]-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) 3.05 6.42 -42.91 0 3 -1 29 228.366 3 ↓

Analogs

5826333
5826333
38342156
38342156

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Popular Name: 5-[cyclopentyl(methyl)amino]-1,3,4-thiadiazole-2-thiol 5-[cyclopentyl(methyl)amino]-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) 2.67 5.74 -42.19 0 3 -1 29 214.339 2 ↓

Analogs

3296791
3296791

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Popular Name: 2-[[5-[cyclopentyl(ethyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-[cyclopentyl(ethyl)amino]-…

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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) 2.50 7.77 -45.51 0 5 -1 69 286.402 6 ↓

Analogs

3296791
3296791
8157323
8157323

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Popular Name: 2-[[5-[cyclopentyl(methyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-[cyclopentyl(methyl)amino]…

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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) 2.12 7.08 -45.44 0 5 -1 69 272.375 5 ↓

Analogs

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Popular Name: 2-[cyclopentyl(1,3,4-thiadiazol-2-yl)amino]acetic 2-[cyclopentyl(1,3,4-thiadiazol-…

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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) 0.49 6.36 -45.43 0 5 -1 69 226.281 4 ↓

Analogs

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Popular Name: 1-(1,3,4-thiadiazol-2-ylamino)cyclopentanecarboxylic 1-(1,3,4-thiadiazol-2-ylamino)cy…

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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) -0.75 3.99 -54.1 1 5 -1 78 212.254 3 ↓

Analogs

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Popular Name: N-cyclopentyl-N-(1,3,4-thiadiazol-2-yl)propane-1,3-diamine N-cyclopentyl-N-(1,3,4-thiadiazo…

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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) 1.23 4.28 -52.89 3 4 1 57 227.357 5 ↓

Analogs

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Popular Name: N-cyclopentyl-1,3,4-thiadiazol-2-amine N-cyclopentyl-1,3,4-thiadiazol-2…

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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) 1.91 3.87 -6.78 1 3 0 38 169.253 2 ↓

Analogs

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Popular Name: N-(1-methylcyclopentyl)-1,3,4-thiadiazol-2-amine N-(1-methylcyclopentyl)-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) 2.36 4.16 -6.64 1 3 0 38 183.28 2 ↓

Analogs

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Popular Name: N-[(1S,2R)-2-methoxycyclopentyl]-1,3,4-thiadiazol-2-amine N-[(1S,2R)-2-methoxycyclopentyl]…

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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) 1.38 3.3 -6.39 1 4 0 47 199.279 3 ↓

Analogs

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Popular Name: N-[(1S,2S)-2-methoxycyclopentyl]-1,3,4-thiadiazol-2-amine N-[(1S,2S)-2-methoxycyclopentyl]…

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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) 1.38 2.87 -8.45 1 4 0 47 199.279 3 ↓

Analogs

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Popular Name: N-[(1R,2R)-2-methoxycyclopentyl]-1,3,4-thiadiazol-2-amine N-[(1R,2R)-2-methoxycyclopentyl]…

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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) 1.38 2.87 -8.31 1 4 0 47 199.279 3 ↓

Analogs

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Popular Name: N-[(1R,2S)-2-methoxycyclopentyl]-1,3,4-thiadiazol-2-amine N-[(1R,2S)-2-methoxycyclopentyl]…

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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) 1.38 3.22 -6.69 1 4 0 47 199.279 3 ↓

Analogs

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Popular Name: [1-(1,3,4-thiadiazol-2-ylamino)cyclopentyl]methanol [1-(1,3,4-thiadiazol-2-ylamino)c…

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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) 1.35 1.72 -7.79 2 4 0 58 199.279 3 ↓

Analogs

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Popular Name: N-[(1S,2R)-2-methylcyclopentyl]-1,3,4-thiadiazol-2-amine N-[(1S,2R)-2-methylcyclopentyl]-…

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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) 2.15 4.77 -6.47 1 3 0 38 183.28 2 ↓

Analogs

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Popular Name: N-[(1S,2S)-2-methylcyclopentyl]-1,3,4-thiadiazol-2-amine N-[(1S,2S)-2-methylcyclopentyl]-…

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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) 2.15 4.46 -6.6 1 3 0 38 183.28 2 ↓

Analogs

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Popular Name: N-[(1R,2R)-2-methylcyclopentyl]-1,3,4-thiadiazol-2-amine N-[(1R,2R)-2-methylcyclopentyl]-…

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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) 2.15 4.45 -6.54 1 3 0 38 183.28 2 ↓

Analogs

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Popular Name: N-[(1R,2S)-2-methylcyclopentyl]-1,3,4-thiadiazol-2-amine N-[(1R,2S)-2-methylcyclopentyl]-…

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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) 2.15 4.76 -6.38 1 3 0 38 183.28 2 ↓

Analogs

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Popular Name: (1R,2S)-N1-(1,3,4-thiadiazol-2-yl)cyclopentane-1,2-diamine (1R,2S)-N1-(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) 0.27 1.74 -51.5 4 4 1 65 185.276 2 ↓

Analogs

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Popular Name: (1S,2S)-N1-(1,3,4-thiadiazol-2-yl)cyclopentane-1,2-diamine (1S,2S)-N1-(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) 0.27 1.12 -49.87 4 4 1 65 185.276 2 ↓

Analogs

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Popular Name: (1R,2R)-N1-(1,3,4-thiadiazol-2-yl)cyclopentane-1,2-diamine (1R,2R)-N1-(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) 0.27 1.02 -50.06 4 4 1 65 185.276 2 ↓

Analogs

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Popular Name: (1S,2R)-N1-(1,3,4-thiadiazol-2-yl)cyclopentane-1,2-diamine (1S,2R)-N1-(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) 0.27 1.62 -50.84 4 4 1 65 185.276 2 ↓

Analogs

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Popular Name: N-[1-(aminomethyl)cyclopentyl]-1,3,4-thiadiazol-2-amine N-[1-(aminomethyl)cyclopentyl]-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) 0.79 1.73 -45.66 4 4 1 65 199.303 3 ↓

Analogs

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Popular Name: 2-[cyclopentyl(1,3,4-thiadiazol-2-yl)amino]ethanol 2-[cyclopentyl(1,3,4-thiadiazol-…

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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) 1.52 2.82 -8.05 1 4 0 49 213.306 4 ↓

Analogs

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Popular Name: N-cyclopentyl-N-(1,3,4-thiadiazol-2-yl)ethane-1,2-diamine N-cyclopentyl-N-(1,3,4-thiadiazo…

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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) 0.96 3.52 -55.16 3 4 1 57 213.33 4 ↓
Hi High (pH 8-9.5) 0.96 3.13 -6.86 2 4 0 55 212.322 4 ↓

Analogs

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Popular Name: N-(2-chloroethyl)-N-cyclopentyl-1,3,4-thiadiazol-2-amine N-(2-chloroethyl)-N-cyclopentyl-…

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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) 2.76 6.74 -7.17 0 3 0 29 231.752 4 ↓

Parameters Provided:

ring.id = 5209
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 = 5209 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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