UCSF

ZINC20358161

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 25 No

Popular Name: (5E)-5-[[(4-methylpiperazin-1-yl)amino]methylene]-1-(o-tolyl)hexahydropyrimidine-2,4,6-trione (5E)-5-[[(4-methylpiperazin-1-yl…

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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) 0.78 3.6 -74.66 2 8 0 95 343.387 3 ↓
Ref Reference (pH 7) 0.78 3.68 -71.93 2 8 0 95 343.387 3 ↓
Mid Mid (pH 6-8) 0.78 1.88 -47.79 1 8 -1 94 342.379 3 ↓
Mid Mid (pH 6-8) 0.78 1.25 -50.45 1 8 -1 94 342.379 3 ↓
Lo Low (pH 4.5-6) 0.32 6.13 -49.86 3 8 1 92 344.395 3 ↓

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

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