UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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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) -0.84 2.96 -44.39 3 4 1 55 236.291 0 ↓
Hi High (pH 8-9.5) -0.84 2.79 -6.14 2 4 0 54 235.283 0 ↓

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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) -0.84 2.96 -45.63 3 4 1 55 236.291 0 ↓
Hi High (pH 8-9.5) -0.84 2.78 -6.18 2 4 0 54 235.283 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) 1.41 4.97 -38.92 2 4 1 44 250.318 1 ↓
Hi High (pH 8-9.5) 1.41 4.28 -5.58 1 4 0 40 249.31 1 ↓

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) 1.41 4.97 -40.04 2 4 1 44 250.318 1 ↓
Hi High (pH 8-9.5) 1.41 4.41 -5.82 1 4 0 40 249.31 1 ↓

Analogs

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Popular Name: N-ethylBLAHamine N-ethylBLAHamine

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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) 1.79 5.81 -37.67 2 4 1 44 264.345 2 ↓
Hi High (pH 8-9.5) 1.79 5.16 -5.36 1 4 0 40 263.337 2 ↓

Analogs

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Popular Name: N-ethylBLAHamine N-ethylBLAHamine

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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) 1.79 5.82 -38.66 2 4 1 44 264.345 2 ↓
Hi High (pH 8-9.5) 1.79 5.29 -5.66 1 4 0 40 263.337 2 ↓

Analogs

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Popular Name: N-propylBLAHamine N-propylBLAHamine

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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) 2.29 6.57 -38.13 2 4 1 44 278.372 3 ↓
Hi High (pH 8-9.5) 2.29 5.91 -5.28 1 4 0 40 277.364 3 ↓

Analogs

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Popular Name: N-propylBLAHamine N-propylBLAHamine

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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) 2.29 6.58 -39.18 2 4 1 44 278.372 3 ↓
Hi High (pH 8-9.5) 2.29 6.04 -5.57 1 4 0 40 277.364 3 ↓

Analogs

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Popular Name: BLAHol BLAHol

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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) 0.86 3.05 -7.97 1 4 0 48 236.267 0 ↓

Analogs

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Popular Name: BLAHol BLAHol

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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) 0.86 2.01 -8.35 1 4 0 48 236.267 0 ↓

Analogs

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Popular Name: chloroBLAH chloroBLAH

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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) 2.23 5.62 -6.66 0 3 0 28 254.713 0 ↓

Analogs

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Popular Name: chloroBLAH chloroBLAH

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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) 2.23 5.59 -6.27 0 3 0 28 254.713 0 ↓

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Popular Name: bromoBLAH bromoBLAH

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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) 2.36 5.71 -6.42 0 3 0 28 299.164 0 ↓

Analogs

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Popular Name: bromoBLAH bromoBLAH

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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) 2.36 5.71 -6.05 0 3 0 28 299.164 0 ↓

Parameters Provided:

ring.id = 151534
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 = 151534 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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