UCSF

ZINC08741278

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 24 No

Popular Name: 5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione 5-{[2,5-dimethyl-1-(4-methylphen…

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Other Names:

MFCD01125830

Download: MOL2 SDF SMILES Flexibase

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) 1.83 3.77 -46.56 1 6 -1 91 322.344 2 ↓
Mid Mid (pH 6-8) 1.83 3.63 -46.5 1 6 -1 91 322.344 2 ↓
Mid Mid (pH 6-8) 1.83 3.63 -47.08 1 6 -1 91 322.344 2 ↓
Lo Low (pH 4.5-6) 1.37 6.23 -9.08 2 6 0 88 323.352 2 ↓

Activity (Go SEA)

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