UCSF

ZINC71589424

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2011 29 Yes

Popular Name: 7-[3-(2,4-difluorophenyl)propanoyl]-2-(4-pyridyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one 7-[3-(2,4-difluorophenyl)propano…

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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) 2.41 8.64 -15.04 1 6 0 79 396.397 4 ↓
Hi High (pH 8-9.5) 2.87 6.79 -48.8 0 6 -1 82 395.389 4 ↓
Lo Low (pH 4.5-6) 2.41 9.09 -55.92 2 6 1 80 397.405 4 ↓

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Rings

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

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