UCSF

ZINC40662256

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2010 27 Yes

Popular Name: N4-benzyl-N4-methyl-6-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]pyrimidine-4,5-diamine N4-benzyl-N4-methyl-6-[(1R,5S)-1…

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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) 3.79 12.88 -7.13 2 5 0 58 365.525 4 ↓
Lo Low (pH 4.5-6) 3.79 13.52 -26.69 3 5 1 60 366.533 4 ↓
Lo Low (pH 4.5-6) 3.79 13.34 -24.09 3 5 1 60 366.533 4 ↓

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

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