UCSF

ZINC01210956

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 10th, 2004 28 No

Popular Name: (5E)-1-(4-bromo-3-methyl-phenyl)-2,6-diketo-5-[(1-methylindol-3-yl)methylene]pyrimidin-4-olate (5E)-1-(4-bromo-3-methyl-phenyl)…

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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) 3.71 7.46 -46.26 0 6 -1 80 437.273 2 ↓
Lo Low (pH 4.5-6) 3.25 9.86 -10.37 1 6 0 77 438.281 2 ↓

Activity (Go SEA)

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