UCSF

ZINC03101451

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2005 25 No

Popular Name: (9S)-9-Hydroxy-6'-methoxy-1-methylcinchonan-1-ium iodide; 1-Methylquinidinium iodide; Cinchonan-1-ium, 9-hydroxy-6'-methoxy-1-methyl-, iodide, (9S)-; Cinchonanium, 9-hydroxy-6'-methoxy-1-methyl-, iodide, (9S)-; LS-53730; Methylquinidinium, iodide; Quinidi (9S)-9-Hydroxy-6'-methoxy-1-meth…

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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) -0.92 1.52 -35.18 1 4 1 42 339.459 4 ↓
Lo Low (pH 4.5-6) -0.92 1.62 -86.17 2 4 2 43 340.467 4 ↓

Activity (Go SEA)

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