UCSF

ZINC37167002

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 19 Yes

Popular Name: (2R)-N1,N1,4-trimethyl-N2-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]pentane-1,2-diamine (2R)-N1,N1,4-trimethyl-N2-[(1R,5…

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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) 2.56 6.97 -32.17 2 3 1 23 268.469 6 ↓
Hi High (pH 8-9.5) 2.56 7.93 -84.85 3 3 2 21 269.477 6 ↓
Mid Mid (pH 6-8) 2.56 9.22 -92.04 3 3 2 24 269.477 6 ↓
Lo Low (pH 4.5-6) 2.56 9.08 -194.37 4 3 3 25 270.485 6 ↓

Activity (Go SEA)

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