UCSF

ZINC39764059

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 25 No

Popular Name: N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-3-[(6R)-5-oxo-3-thioxo-6H-1,2,4-triazin-6-yl]propanamide N-[(1S)-1-(2,5-dimethoxyphenyl)e…

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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) 1.19 2.02 -15.11 2 8 0 101 364.427 7 ↓
Mid Mid (pH 6-8) 1.38 0.11 -45.4 1 8 -1 108 363.419 7 ↓

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

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