UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

20590597
20590597
20590604
20590604
20590608
20590608

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1S)-1-cyclohexylethyl]-5-methyl-1,2,4-triazole-3-thiol 4-[(1S)-1-cyclohexylethyl]-5-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) 2.19 8.45 -11.55 1 3 0 34 225.361 2 ↓
Hi High (pH 8-9.5) 2.91 8.56 -47.1 0 3 -1 31 224.353 2 ↓

Analogs

20590597
20590597
20590604
20590604
20590608
20590608

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1R)-1-cyclohexylethyl]-5-methyl-1,2,4-triazole-3-thiol 4-[(1R)-1-cyclohexylethyl]-5-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) 2.19 8.45 -11.51 1 3 0 34 225.361 2 ↓
Hi High (pH 8-9.5) 2.91 8.56 -47.06 0 3 -1 31 224.353 2 ↓

Analogs

20590438
20590438
20590443
20590443
20590446
20590446

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1S)-1-cyclohexylethyl]-5-ethyl-1,2,4-triazole-3-thiol 4-[(1S)-1-cyclohexylethyl]-5-eth…

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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 9.32 -10.95 1 3 0 34 239.388 3 ↓
Hi High (pH 8-9.5) 3.48 9.04 -47 0 3 -1 31 238.38 3 ↓

Analogs

20590584
20590584
20590588
20590588
20590591
20590591

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1R)-1-cyclohexylethyl]-5-ethyl-1,2,4-triazole-3-thiol 4-[(1R)-1-cyclohexylethyl]-5-eth…

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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 8.71 -10.22 1 3 0 34 239.388 3 ↓
Hi High (pH 8-9.5) 3.48 9.17 -46.95 0 3 -1 31 238.38 3 ↓

Analogs

20590544
20590544
20590547
20590547
20590550
20590550

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1S)-1-cyclohexylethyl]-5-isopropyl-1,2,4-triazole-3-thiol 4-[(1S)-1-cyclohexylethyl]-5-iso…

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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 9.67 -10.01 1 3 0 34 253.415 3 ↓
Hi High (pH 8-9.5) 3.97 9.6 -47.12 0 3 -1 31 252.407 3 ↓

Analogs

20590544
20590544
20590547
20590547
20590550
20590550

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1R)-1-cyclohexylethyl]-5-isopropyl-1,2,4-triazole-3-thiol 4-[(1R)-1-cyclohexylethyl]-5-iso…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 9 -9.5 1 3 0 34 253.415 3 ↓
Hi High (pH 8-9.5) 3.97 9.61 -47.11 0 3 -1 31 252.407 3 ↓

Analogs

42581260
42581260
42581263
42581263
42581266
42581266
42581269
42581269

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1S)-1-cyclohexylethyl]-1,2,4-triazole-3-thiol 4-[(1S)-1-cyclohexylethyl]-1,2,4…

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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) 2.10 8.86 -12.74 1 3 0 34 211.334 2 ↓
Mid Mid (pH 6-8) 2.83 8.93 -46.53 0 3 -1 31 210.326 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1R)-1-cyclohexylethyl]-1,2,4-triazole-3-thiol 4-[(1R)-1-cyclohexylethyl]-1,2,4…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.10 8.86 -12.62 1 3 0 34 211.334 2 ↓
Mid Mid (pH 6-8) 2.83 8.93 -46.52 0 3 -1 31 210.326 2 ↓

Analogs

20590597
20590597
20590604
20590604
20590608
20590608

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1S)-1-cyclohexylpropyl]-5-methyl-1,2,4-triazole-3-thiol 4-[(1S)-1-cyclohexylpropyl]-5-me…

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Activity (Go SEA)

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 9.38 -11.56 1 3 0 34 239.388 3 ↓
Mid Mid (pH 6-8) 3.42 9.51 -47.77 0 3 -1 31 238.38 3 ↓

Analogs

20590597
20590597
20590604
20590604
20590608
20590608

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1R)-1-cyclohexylpropyl]-5-methyl-1,2,4-triazole-3-thiol 4-[(1R)-1-cyclohexylpropyl]-5-me…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 9.38 -11.48 1 3 0 34 239.388 3 ↓
Mid Mid (pH 6-8) 3.42 9.5 -47.61 0 3 -1 31 238.38 3 ↓

Analogs

20590584
20590584
20590588
20590588
20590591
20590591

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1S)-1-cyclohexylpropyl]-5-ethyl-1,2,4-triazole-3-thiol 4-[(1S)-1-cyclohexylpropyl]-5-et…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.26 10.25 -10.92 1 3 0 34 253.415 4 ↓
Hi High (pH 8-9.5) 3.99 9.99 -47.66 0 3 -1 31 252.407 4 ↓

Analogs

20590584
20590584
20590588
20590588
20590591
20590591

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1R)-1-cyclohexylpropyl]-5-ethyl-1,2,4-triazole-3-thiol 4-[(1R)-1-cyclohexylpropyl]-5-et…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.26 10.23 -10.89 1 3 0 34 253.415 4 ↓
Hi High (pH 8-9.5) 3.99 9.98 -47.47 0 3 -1 31 252.407 4 ↓

Analogs

20590544
20590544
20590547
20590547
20590550
20590550

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1S)-1-cyclohexylpropyl]-5-isopropyl-1,2,4-triazole-3-thiol 4-[(1S)-1-cyclohexylpropyl]-5-is…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.74 10.53 -9.91 1 3 0 34 267.442 4 ↓
Mid Mid (pH 6-8) 4.47 10.55 -47.82 0 3 -1 31 266.434 4 ↓

Analogs

20590544
20590544
20590547
20590547
20590550
20590550

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1R)-1-cyclohexylpropyl]-5-isopropyl-1,2,4-triazole-3-thiol 4-[(1R)-1-cyclohexylpropyl]-5-is…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.74 10.43 -9.96 1 3 0 34 267.442 4 ↓
Mid Mid (pH 6-8) 4.47 10.54 -47.62 0 3 -1 31 266.434 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1S)-1-cyclohexylpropyl]-1,2,4-triazole-3-thiol 4-[(1S)-1-cyclohexylpropyl]-1,2,…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 9.71 -12.65 1 3 0 34 225.361 3 ↓
Mid Mid (pH 6-8) 3.33 9.88 -47.07 0 3 -1 31 224.353 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1R)-1-cyclohexylpropyl]-1,2,4-triazole-3-thiol 4-[(1R)-1-cyclohexylpropyl]-1,2,…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 9.7 -12.66 1 3 0 34 225.361 3 ↓
Mid Mid (pH 6-8) 3.33 9.84 -47.12 0 3 -1 31 224.353 3 ↓

Parameters Provided:

ring.id = 221664
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 = 221664 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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