UCSF

ZINC20890962

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 35 Yes

Popular Name: 1-[(3S)-3-[3-[(4-fluorophenyl)methyl]-7-hydroxy-triazolo[5,4-d]pyrimidin-5-yl]-1-piperidyl]-2-(4-met 1-[(3S)-3-[3-[(4-fluorophenyl)me…

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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) 2.91 9.38 -44.87 1 9 0 106 476.512 6 ↓
Mid Mid (pH 6-8) 3.37 8.98 -57.07 0 9 -1 109 475.504 6 ↓
Lo Low (pH 4.5-6) 2.91 11.14 -25.57 1 9 0 106 476.512 6 ↓

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