UCSF

ZINC17058256

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2008 27 No

Popular Name: 5-(3-chloro-4-hydroxy-5-methoxybenzylidene)-1-(4-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione 5-(3-chloro-4-hydroxy-5-methoxyb…

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Other Names:

MFCD01610566

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) 2.71 2.95 -46.03 1 7 -1 104 385.783 3 ↓
Hi High (pH 8-9.5) 2.71 3.77 -102.78 0 7 -2 107 384.775 3 ↓
Mid Mid (pH 6-8) 2.72 4.54 -102.72 0 7 -2 107 384.775 3 ↓
Lo Low (pH 4.5-6) 2.26 5.51 -13.48 2 7 0 101 386.791 3 ↓

Activity (Go SEA)

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