UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (5R)-N5-(1-ethyl-4-piperidyl)-N2,N2-dimethyl-5,6,7,8-tetrahydroquinazoline-2,5-diamine (5R)-N5-(1-ethyl-4-piperidyl)-N2…

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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) 1.41 9.12 -39.18 2 5 1 45 304.462 4 ↓
Mid Mid (pH 6-8) 1.41 7.22 -45.42 2 5 1 49 304.462 4 ↓
Lo Low (pH 4.5-6) 1.41 9.81 -191.41 4 5 3 51 306.478 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-N5-(1-ethyl-4-piperidyl)-N2,N2-dimethyl-5,6,7,8-tetrahydroquinazoline-2,5-diamine (5S)-N5-(1-ethyl-4-piperidyl)-N2…

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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) 1.41 9.38 -39.56 2 5 1 45 304.462 4 ↓
Mid Mid (pH 6-8) 1.41 7.22 -45.43 2 5 1 49 304.462 4 ↓
Lo Low (pH 4.5-6) 1.41 9.71 -180.13 4 5 3 51 306.478 4 ↓

Analogs

39360368
39360368
39360369
39360369

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-N2,N2-dimethyl-N5-(1-propyl-4-piperidyl)-5,6,7,8-tetrahydroquinazoline-2,5-diamine (5R)-N2,N2-dimethyl-N5-(1-propyl…

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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 9.97 -39.96 2 5 1 45 318.489 5 ↓
Mid Mid (pH 6-8) 1.91 8.66 -43.38 2 5 1 49 318.489 5 ↓
Lo Low (pH 4.5-6) 1.91 11.38 -193.29 4 5 3 51 320.505 5 ↓

Analogs

39360368
39360368
39360369
39360369

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-N2,N2-dimethyl-N5-(1-propyl-4-piperidyl)-5,6,7,8-tetrahydroquinazoline-2,5-diamine (5S)-N2,N2-dimethyl-N5-(1-propyl…

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) 1.91 10.18 -40.08 2 5 1 45 318.489 5 ↓
Mid Mid (pH 6-8) 1.91 7.83 -45.42 2 5 1 49 318.489 5 ↓
Lo Low (pH 4.5-6) 1.91 10.55 -194.3 4 5 3 51 320.505 5 ↓

Parameters Provided:

ring.id = 389313
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 = 389313 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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