UCSF

ZINC33754580

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 23 Yes

Popular Name: 3,4-Methylenedioxy-N-(1,2,3,4-tetrahydro-2-methylisoquinolin-5-yl)benzamide; BRN 0442451; Benzamide, 3,4-methylenedioxy-N-(1,2,3,4-tetrahydro-2-methylisoquinolin-5-yl)-; Isoquinoline, 1,2,3,4-tetrahydro-2-methyl-5-(3,4-methylenedioxybenzamido)-; LS-27194 3,4-Methylenedioxy-N-(1,2,3,4-te…

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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) 2.47 7.67 -52.53 2 5 1 52 311.361 2 ↓
Mid Mid (pH 6-8) 2.47 5.26 -11.78 1 5 0 51 310.353 2 ↓

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