UCSF

ZINC69950276

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 24 Yes

Popular Name: (NE)-2-(6-methyl-4-oxo-2-pyrimidin-2-yl-1H-pyrimidin-5-yl)-N-(3-methylthiazol-2-ylidene)acetamide (NE)-2-(6-methyl-4-oxo-2-pyrimid…

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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) 1.15 3.64 -20.12 1 8 0 106 342.384 3 ↓
Hi High (pH 8-9.5) 1.61 2.12 -74.9 0 8 -1 109 341.376 3 ↓
Hi High (pH 8-9.5) 1.61 1.7 -66.07 0 8 -1 109 341.376 3 ↓

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

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