UCSF

ZINC63952107

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 8th, 2011 32 No

Popular Name: (5S)-N-[3-(4-ethyl-6-oxo-5H-pyrimidin-2-yl)phenyl]-5-methyl-6-oxo-1-phenyl-4,5-dihydro-1,2,4-triazin (5S)-N-[3-(4-ethyl-6-oxo-5H-pyri…

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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) 1.50 7.33 -23.34 2 9 0 116 430.468 5 ↓
Hi High (pH 8-9.5) 1.69 5.48 -57.17 1 9 -1 122 429.46 5 ↓

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

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