UCSF

ZINC15941222

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2008 35 Yes

Popular Name: 3-[(4-methoxyphenyl)methyl]-5-[1-(p-tolylsulfonyl)-4-piperidyl]-2H-triazolo[4,5-e]pyrimidin-7-one 3-[(4-methoxyphenyl)methyl]-5-[1…

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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) 3.17 5.3 -58.64 0 10 -1 126 493.569 6 ↓
Lo Low (pH 4.5-6) 2.71 7.53 -24.33 1 10 0 123 494.577 6 ↓
Lo Low (pH 4.5-6) 2.71 7.04 -38.11 1 10 0 123 494.577 6 ↓

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