UCSF

ZINC52926092

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2010 20 No

Popular Name: (1R,5S)-8-methyl-N-[(3-nitrophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (1R,5S)-8-methyl-N-[(3-nitrophen…

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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) 2.23 7.6 -40.76 2 5 1 62 276.36 4 ↓
Mid Mid (pH 6-8) 2.23 6.41 -54.23 2 5 1 66 276.36 4 ↓
Lo Low (pH 4.5-6) 2.23 8.77 -123.12 3 5 2 67 277.368 4 ↓

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

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