UCSF

ZINC40052913

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 32 No

Popular Name: (2S)-3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxy-1-(3-hydroxypropyl)-2-(3-nitrophenyl)-2H- (2S)-3-(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) 1.46 5.76 -57.47 1 10 -1 145 439.4 7 ↓
Lo Low (pH 4.5-6) 1.46 5.01 -19.2 2 10 0 142 440.408 7 ↓

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