UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-[cyclopropyl(methyl)amino]-4-ethyl-1,2,4-triazole-3-thiol 5-[cyclopropyl(methyl)amino]-4-e…

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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) 0.61 7.95 -10.37 1 4 0 37 198.295 3 ↓

Analogs

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Popular Name: 5-[cyclopropyl(methyl)amino]-4-propyl-1,2,4-triazole-3-thiol 5-[cyclopropyl(methyl)amino]-4-p…

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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) 1.11 8.7 -10.13 1 4 0 37 212.322 4 ↓
Hi High (pH 8-9.5) 1.84 8.89 -44.89 0 4 -1 34 211.314 4 ↓
Mid Mid (pH 6-8) 1.11 8.87 -46.43 2 4 1 38 213.33 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[cyclopropyl(methyl)amino]-4-methyl-1,2,4-triazole-3-thiol 5-[cyclopropyl(methyl)amino]-4-m…

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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) 0.23 7.22 -10.46 1 4 0 37 184.268 2 ↓

Analogs

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Popular Name: 5-[cyclopropyl(methyl)amino]-4-isopropyl-1,2,4-triazole-3-thiol 5-[cyclopropyl(methyl)amino]-4-i…

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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) 0.97 8.05 -8.95 1 4 0 37 212.322 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[cyclopropyl(ethyl)amino]-4-ethyl-1,2,4-triazole-3-thiol 5-[cyclopropyl(ethyl)amino]-4-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) 0.99 8.75 -9.89 1 4 0 37 212.322 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[cyclopropyl(ethyl)amino]-4-methyl-1,2,4-triazole-3-thiol 5-[cyclopropyl(ethyl)amino]-4-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) 0.61 8.16 -10.85 1 4 0 37 198.295 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[cyclopropyl(ethyl)amino]-4-isopropyl-1,2,4-triazole-3-thiol 5-[cyclopropyl(ethyl)amino]-4-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) 1.35 8.93 -8.96 1 4 0 37 226.349 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[cyclopropyl(propyl)amino]-4-ethyl-1,2,4-triazole-3-thiol 5-[cyclopropyl(propyl)amino]-4-e…

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) 1.49 9.64 -10.48 1 4 0 37 226.349 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[cyclopropyl(propyl)amino]-4-methyl-1,2,4-triazole-3-thiol 5-[cyclopropyl(propyl)amino]-4-m…

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) 1.11 8.92 -10.54 1 4 0 37 212.322 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[cyclopropyl(propyl)amino]-4-isopropyl-1,2,4-triazole-3-thiol 5-[cyclopropyl(propyl)amino]-4-i…

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) 1.85 9.22 -8.7 1 4 0 37 240.376 5 ↓

Parameters Provided:

ring.id = 114697
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 = 114697 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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