UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: BLAHamine BLAHamine

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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) 2.77 5.41 -9.88 2 3 0 52 211.268 0 ↓
Mid Mid (pH 6-8) 2.77 5.55 -24.94 3 3 1 53 212.276 0 ↓
Mid Mid (pH 6-8) 2.77 5.56 -29.31 3 3 1 53 212.276 0 ↓

Analogs

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Popular Name: N-methylBLAHamine N-methylBLAHamine

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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) 3.14 6.33 -9.93 1 3 0 38 225.295 1 ↓
Mid Mid (pH 6-8) 3.14 6.49 -27.07 2 3 1 39 226.303 1 ↓
Mid Mid (pH 6-8) 3.14 6.45 -23.63 2 3 1 39 226.303 1 ↓

Analogs

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Popular Name: 3-hydrazino-6,7-dihydro-5h-benzo[6,7]cyclohepta[1,2-c]pyridazine 3-hydrazino-6,7-dihydro-5h-benzo…

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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) 2.53 5.26 -11.02 3 4 0 64 226.283 1 ↓
Mid Mid (pH 6-8) 2.53 5.4 -25.49 4 4 1 65 227.291 1 ↓

Parameters Provided:

ring.id = 370727
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 = 370727 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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