UCSF

ZINC20729655

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 28 No

Popular Name: (4S)-4-(2-allyloxyphenyl)-3-methyl-1-pyrimidin-2-yl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one (4S)-4-(2-allyloxyphenyl)-3-meth…

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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) 2.49 9.06 -16.32 1 7 0 85 393.472 5 ↓
Ref Reference (pH 7) 2.31 11.46 -14.98 1 7 0 82 393.472 5 ↓

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