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Analogs

35894574
35894574
35870244
35870244
35543911
35543911
35544573
35544573
35544575
35544575

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Popular Name: [(4aS,5R)-3-methyl-8-nitro-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-5-yl]-(4-methylpiperazin-1- [(4aS,5R)-3-methyl-8-nitro-1,2,4…

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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) 1.46 8.1 -55.37 1 8 1 77 374.465 2 ↓
Mid Mid (pH 6-8) 1.46 10.45 -111.66 2 8 2 78 375.473 2 ↓
Mid Mid (pH 6-8) 1.46 5.68 -13.18 0 8 0 76 373.457 2 ↓

Analogs

35870244
35870244
35894573
35894573
35543911
35543911
35544573
35544573
35544575
35544575

Draw Identity 99% 90% 80% 70%

Popular Name: [(4aS,5S)-3-methyl-8-nitro-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-5-yl]-(4-methylpiperazin-1- [(4aS,5S)-3-methyl-8-nitro-1,2,4…

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) 1.46 7.71 -60.42 1 8 1 77 374.465 2 ↓
Mid Mid (pH 6-8) 1.46 10.06 -116.53 2 8 2 78 375.473 2 ↓
Mid Mid (pH 6-8) 1.46 5.38 -14.15 0 8 0 76 373.457 2 ↓

Parameters Provided:

ring.id = 42052
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 = 42052 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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