UCSF

ZINC31559990

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 26 Yes

Popular Name: 1,3-Dioxolo(4,5-g)isoquinoline, 5-(alpha-aminoveratryl)-7-methyl-, dihydrochloride; 5-(alpha-Aminoveratryl)-7-methyl-1,3-dioxolo(4,5-g)isoquinoline dihydrochloride; LS-62714 1,3-Dioxolo(4,5-g)isoquinoline, …

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Annotations

Vendors

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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) 3.20 5.1 -52.06 3 6 1 77 353.398 4 ↓
Mid Mid (pH 6-8) 3.20 5.16 -35.01 3 6 1 77 353.398 4 ↓
Mid Mid (pH 6-8) 3.20 4.74 -10.48 2 6 0 76 352.39 4 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )