UCSF

ZINC55568684

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2010 31 Yes

Popular Name: 1-[[4-[[4-(diethylamino)phenyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidin-4-ol 1-[[4-[[4-(diethylamino)phenyl]m…

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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) 2.67 9.82 -98.54 3 5 0 42 425.617 7 ↓
Mid Mid (pH 6-8) 2.67 11.94 -43.84 4 5 0 43 426.625 7 ↓
Mid Mid (pH 6-8) 2.67 9.73 -43.13 2 5 1 40 424.609 7 ↓

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