UCSF

ZINC33865228

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 20 No

Popular Name: LS-136451; Phenethylamine, 3,4-dihydroxy-N-methyl-N-phenethyl-, fumarate (2:1); Pyrocatechol, 4-(2-(N-methylphenethylamino)ethyl)-, fumarate (2:1) LS-136451; Phenethylamine, 3,4-d…

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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) 2.98 6.75 -47.78 3 3 1 45 272.368 6 ↓
Hi High (pH 8-9.5) 2.98 4.42 -7.03 2 3 0 44 271.36 6 ↓

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