UCSF

ZINC65526289

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 23 No

Popular Name: (8R)-2-amino-8-(2,2-difluoro-1,3-benzodioxol-5-yl)-4,5,7,8-tetrahydrothiazolo[4,5-c]azepin-6-one (8R)-2-amino-8-(2,2-difluoro-1,3…

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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) 2.05 2.48 -11.72 3 6 0 86 339.323 1 ↓
Lo Low (pH 4.5-6) 2.05 2.9 -46.05 4 6 1 88 340.331 1 ↓

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

No pre-computed analogs available. Try a structural similarity search.