UCSF

ZINC20290401

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 36 No

Popular Name: (5S)-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-(4-dimethylaminophenyl)-3-hydroxy-1-(2-morpholino (5S)-4-(2,3-dihydro-1,4-benzodio…

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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) 1.86 6.54 -62.88 0 9 -1 95 492.552 7 ↓
Mid Mid (pH 6-8) 1.86 8.88 -78.46 1 9 0 96 493.56 7 ↓
Mid Mid (pH 6-8) 0.86 6.16 -39.81 2 6 1 69 342.419 4 ↓

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