UCSF

ZINC40661757

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2010 28 Yes

Popular Name: N4-ethyl-N4-(m-tolyl)-6-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]pyrimidine-4,5-diamin N4-ethyl-N4-(m-tolyl)-6-[(1R,5S)…

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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) 4.89 13.52 -24.93 3 5 1 60 380.56 4 ↓
Hi High (pH 8-9.5) 4.89 13.04 -6.77 2 5 0 58 379.552 4 ↓
Mid Mid (pH 6-8) 4.89 13.88 -26.83 3 5 1 60 380.56 4 ↓

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

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