UCSF

ZINC40096772

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 35 No

Popular Name: (2S)-1-butyl-3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxy-2-(3,4,5-trimethoxyphenyl)-2H-pyr (2S)-1-butyl-3-(2,3-dihydro-1,4-…

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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) 2.96 7.89 -61.04 0 9 -1 107 482.509 9 ↓
Lo Low (pH 4.5-6) 2.96 7.14 -19.42 1 9 0 104 483.517 9 ↓

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