UCSF

ZINC36975354

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 21 Yes

Popular Name: (1R,5S)-N-[(1S)-1-(4-chlorophenyl)-2-methyl-propyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (1R,5S)-N-[(1S)-1-(4-chloropheny…

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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) 4.28 9.66 -32.77 2 2 1 16 307.889 4 ↓
Lo Low (pH 4.5-6) 4.28 10.49 -106.2 3 2 2 21 308.897 4 ↓

Activity (Go SEA)

Rings

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