UCSF

ZINC66442606

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2011 16 Yes

Popular Name: 1,5-dimethyl-3-(3-methylbutyl)-3,7-diazabicyclo[3.3.1]nonane 1,5-dimethyl-3-(3-methylbutyl)-3…

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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) 2.65 8.08 -13.6 3 2 0 21 226.408 3 ↓
Mid Mid (pH 6-8) 2.65 7.22 -0.21 2 2 0 16 225.4 3 ↓
Mid Mid (pH 6-8) 2.65 7.71 -30.38 2 2 1 20 225.4 3 ↓

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

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