UCSF

ZINC38592302

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 23 No

Popular Name: (5E)-1-[(4-fluorophenyl)methyl]-5-[[(2S)-2H-pyrrol-2-yl]methylene]hexahydropyrimidine-2,4,6-trione (5E)-1-[(4-fluorophenyl)methyl]-…

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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) 1.22 1.36 -39.58 0 6 -1 87 312.28 3 ↓
Lo Low (pH 4.5-6) 1.22 2.35 -45.55 1 6 0 89 313.288 3 ↓
Lo Low (pH 4.5-6) 0.76 3.82 -8.59 1 6 0 84 313.288 3 ↓
Lo Low (pH 4.5-6) 0.76 4.81 -40.85 2 6 1 86 314.296 3 ↓

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

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