UCSF

ZINC15226002

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2008 33 No

Popular Name: (5S)-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-1-(2-morpholinoethyl)-5-(3-pyridyl)-5H-py (5S)-4-(2,3-dihydro-1,4-benzodio…

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Download: MOL2 SDF SMILES Flexibase

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) 0.53 4.31 -62.94 0 9 -1 104 450.471 6 ↓
Mid Mid (pH 6-8) 0.97 5.55 -65.6 2 9 1 103 452.487 5 ↓
Mid Mid (pH 6-8) -0.06 6.55 -71.23 1 9 1 99 452.487 6 ↓
Mid Mid (pH 6-8) 0.53 6.64 -80.65 1 9 0 105 451.479 6 ↓
Lo Low (pH 4.5-6) 0.97 5.84 -124.69 3 9 2 104 453.495 5 ↓
Lo Low (pH 4.5-6) -0.06 6.84 -129.73 2 9 2 101 453.495 6 ↓

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