UCSF

ZINC49577559

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 21 Yes

Popular Name: 5-[(1R)-1-[(3,4-difluorophenyl)methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one 5-[(1R)-1-[(3,4-difluorophenyl)m…

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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) 1.69 6.29 -44.93 3 4 1 62 294.325 4 ↓
Mid Mid (pH 6-8) 1.69 5.11 -11.47 2 4 0 58 293.317 4 ↓

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

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