UCSF

ZINC20292883

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 33 No

Popular Name: (5R)-1-(3-diethylaminopropyl)-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-5-(3-pyridyl)-5H (5R)-1-(3-diethylaminopropyl)-4-…

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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) 1.70 9.54 -78.84 1 8 0 96 451.523 9 ↓
Mid Mid (pH 6-8) 2.34 6.09 -12.35 1 5 0 54 357.479 4 ↓
Mid Mid (pH 6-8) 2.34 8.55 -45.81 2 5 1 56 358.487 4 ↓

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