UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

19952927
19952927
19952931
19952931
36769304
36769304

Draw Identity 99% 90% 80% 70%

Popular Name: N5-methyl-N5-[[(2S)-tetrahydrofuran-2-yl]methyl]pyridine-2,5-diamine N5-methyl-N5-[[(2S)-tetrahydrofu…

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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) 1.17 3.73 -25.81 3 4 1 53 208.285 3 ↓
Mid Mid (pH 6-8) 1.17 3.22 -6.98 2 4 0 51 207.277 3 ↓

Analogs

19952927
19952927
19952931
19952931
36769304
36769304

Draw Identity 99% 90% 80% 70%

Popular Name: N5-methyl-N5-[[(2R)-tetrahydrofuran-2-yl]methyl]pyridine-2,5-diamine N5-methyl-N5-[[(2R)-tetrahydrofu…

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) 1.17 3.69 -27.61 3 4 1 53 208.285 3 ↓
Mid Mid (pH 6-8) 1.17 3.2 -5.93 2 4 0 51 207.277 3 ↓

Analogs

36769304
36769304
36769305
36769305

Draw Identity 99% 90% 80% 70%

Popular Name: N5-ethyl-N5-[[(2S)-tetrahydrofuran-2-yl]methyl]pyridine-2,5-diamine N5-ethyl-N5-[[(2S)-tetrahydrofur…

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) 1.54 4.68 -25.48 3 4 1 53 222.312 4 ↓
Mid Mid (pH 6-8) 1.54 4.17 -6.6 2 4 0 51 221.304 4 ↓

Analogs

36769304
36769304
36769305
36769305

Draw Identity 99% 90% 80% 70%

Popular Name: N5-ethyl-N5-[[(2R)-tetrahydrofuran-2-yl]methyl]pyridine-2,5-diamine N5-ethyl-N5-[[(2R)-tetrahydrofur…

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) 1.54 4.62 -27.44 3 4 1 53 222.312 4 ↓
Mid Mid (pH 6-8) 1.54 4.14 -5.55 2 4 0 51 221.304 4 ↓

Parameters Provided:

ring.id = 619898
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 = 619898 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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