UCSF
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Analogs

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Popular Name: 4,6-dimethoxy-N-[(3S)-1-methylpyrrolidin-3-yl]-1,3,5-triazin-2-amine 4,6-dimethoxy-N-[(3S)-1-methylpy…

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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) 1.62 0.73 -41.21 2 7 1 74 240.287 4 ↓
Mid Mid (pH 6-8) 1.62 -1.93 -7.05 1 7 0 72 239.279 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,6-dimethoxy-N-[(3R)-1-methylpyrrolidin-3-yl]-1,3,5-triazin-2-amine 4,6-dimethoxy-N-[(3R)-1-methylpy…

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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) 1.62 0.71 -41.61 2 7 1 74 240.287 4 ↓
Mid Mid (pH 6-8) 1.62 -1.82 -7 1 7 0 72 239.279 4 ↓

Analogs

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Popular Name: 4,6-dimethoxy-N-[(3R,4S)-4-methoxypyrrolidin-3-yl]-1,3,5-triazin-2-amine 4,6-dimethoxy-N-[(3R,4S)-4-metho…

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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) 1.07 -2.06 -44.27 3 8 1 95 256.286 5 ↓
Mid Mid (pH 6-8) 1.07 -3.52 -6.86 2 8 0 90 255.278 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,6-dimethoxy-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-1,3,5-triazin-2-amine 4,6-dimethoxy-N-[(3S,4S)-4-metho…

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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) 1.07 -2.49 -44.88 3 8 1 95 256.286 5 ↓
Mid Mid (pH 6-8) 1.07 -3.95 -7.58 2 8 0 90 255.278 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,6-dimethoxy-N-[(3R)-pyrrolidin-3-yl]-1,3,5-triazin-2-amine 4,6-dimethoxy-N-[(3R)-pyrrolidin…

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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) 1.37 -1.42 -46.53 3 7 1 86 226.26 4 ↓
Hi High (pH 8-9.5) 1.37 -2.87 -7.13 2 7 0 81 225.252 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,6-dimethoxy-N-[(3S)-pyrrolidin-3-yl]-1,3,5-triazin-2-amine 4,6-dimethoxy-N-[(3S)-pyrrolidin…

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) 1.37 -1.43 -46.48 3 7 1 86 226.26 4 ↓
Hi High (pH 8-9.5) 1.37 -2.87 -7.24 2 7 0 81 225.252 4 ↓

Parameters Provided:

ring.id = 217115
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 = 217115 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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