UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

14996698
14996698
15001879
15001879
15070206
15070206
20293567
20293567
55074725
55074725

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Popular Name: 4-[5-cyclopropyl-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazole-4-carbonyl]piperazine-1-ca 4-[5-cyclopropyl-1-(8-methoxy-5,…

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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) 1.10 0.09 -21.31 0 9 0 93 458.522 4 ↓

Analogs

19840964
19840964
20254974
20254974

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Popular Name: [5-cyclopropyl-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-[4-(2-methoxyethyl)pipe [5-cyclopropyl-1-(8-methoxy-5,6-…

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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) 1.70 0.38 -49.5 1 9 1 87 489.6 7 ↓

Analogs

14961255
14961255
14988044
14988044
14999145
14999145
19607662
19607662
20600597
20600597

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Popular Name: 1-[4-[5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazole-4-carbonyl]piperazin-1- 1-[4-[5-cyclopropyl-1-(9-methoxy…

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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 -0.14 -24.81 0 9 0 93 472.549 4 ↓

Analogs

11814470
11814470

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Popular Name: [5-cyclopropyl-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-(4-ethylpiperazin-1-yl) [5-cyclopropyl-1-(8-methoxy-5,6-…

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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) 2.09 11.94 -16.1 0 8 0 76 458.566 5 ↓

Parameters Provided:

ring.id = 47400
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 = 47400 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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