UCSF

ZINC16741952

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 35 No

Popular Name: (5S)-5-(2,4-dichlorophenyl)-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-1-(2-morpholinoeth (5S)-5-(2,4-dichlorophenyl)-4-(2…

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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) 3.05 6.88 -54.31 0 8 -1 91 518.373 6 ↓
Mid Mid (pH 6-8) 3.49 8.11 -58.5 2 8 1 90 520.389 5 ↓
Mid Mid (pH 6-8) 2.46 9.09 -58.89 1 8 1 87 520.389 6 ↓
Mid Mid (pH 6-8) 3.05 9.21 -67.32 1 8 0 93 519.381 6 ↓

Activity (Go SEA)

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