UCSF

ZINC71576128

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 27 Yes

Popular Name: 7-[2-(methylamino)pyrimidine-5-carbonyl]-2-(4-pyridyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-on 7-[2-(methylamino)pyrimidine-5-c…

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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) -0.43 5.11 -15.7 2 9 0 117 363.381 3 ↓
Hi High (pH 8-9.5) 0.02 3.27 -49.87 1 9 -1 120 362.373 3 ↓
Lo Low (pH 4.5-6) -0.43 5.57 -55.86 3 9 1 118 364.389 3 ↓

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

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