UCSF

ZINC55060737

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 25 Yes

Popular Name: 2-[[(2-chloro-5-ethoxy-4-isopropoxy-phenyl)methylamino]methyl]-4-methyl-1H-pyrimidin-6-one 2-[[(2-chloro-5-ethoxy-4-isoprop…

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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) 2.33 7.48 -59.65 3 6 1 81 366.869 8 ↓
Hi High (pH 8-9.5) 2.79 4.9 -50.88 2 6 0 84 365.861 8 ↓
Hi High (pH 8-9.5) 2.33 6.09 -13.92 2 6 0 76 365.861 8 ↓

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

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