UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[[5-[cyclopropyl(methyl)amino]-4-isopropyl-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-[cyclopropyl(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) 1.15 9.81 -47.46 0 6 -1 74 269.35 6 ↓
Lo Low (pH 4.5-6) 1.15 9.96 -34.21 1 6 0 75 270.358 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[cyclopropyl(methyl)amino]-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-[cyclopropyl(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) 1.29 10.2 -46.31 0 6 -1 74 269.35 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 0.41 8.55 -46.21 0 6 -1 74 241.296 5 ↓
Lo Low (pH 4.5-6) 0.41 8.71 -35.13 1 6 0 75 242.304 5 ↓

Analogs

42778925
42778925

Draw Identity 99% 90% 80% 70%

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

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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) 0.79 9.46 -46.51 0 6 -1 74 255.323 6 ↓
Lo Low (pH 4.5-6) 0.79 9.61 -34.4 1 6 0 75 256.331 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 1.53 10.76 -47.86 0 6 -1 74 283.377 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 1.67 11.01 -46.61 0 6 -1 74 283.377 8 ↓

Analogs

42778923
42778923
42778948
42778948

Draw Identity 99% 90% 80% 70%

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

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) 0.79 9.64 -49.48 0 6 -1 74 255.323 6 ↓

Analogs

42778925
42778925

Draw Identity 99% 90% 80% 70%

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

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) 1.16 10.25 -46.79 0 6 -1 74 269.35 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[cyclopropyl(propyl)amino]-4-isopropyl-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-[cyclopropyl(propyl)amino]…

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) 2.03 10.67 -50.31 0 6 -1 74 297.404 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[cyclopropyl(propyl)amino]-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-[cyclopropyl(propyl)amino]…

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) 2.17 10.92 -48.96 0 6 -1 74 297.404 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 1.29 10.36 -48.94 0 6 -1 74 269.35 7 ↓

Analogs

42778925
42778925

Draw Identity 99% 90% 80% 70%

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

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) 1.67 11.15 -49.45 0 6 -1 74 283.377 8 ↓

Parameters Provided:

ring.id = 115374
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 = 115374 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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