UCSF

ZINC66129521

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 43 No

Popular Name: N-[3-[[7-[4-(diethylamino)butylamino]-3-(3,5-dimethoxyphenyl)-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl N-[3-[[7-[4-(diethylamino)butyla…

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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) 4.61 15.68 -50.42 3 11 1 113 588.733 15 ↓
Lo Low (pH 4.5-6) 4.61 16.01 -104.96 4 11 2 115 589.741 15 ↓

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

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