UCSF

ZINC62038330

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2011 20 Yes

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

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Download: MOL2 SDF SMILES Flexibase

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) 3.19 9.4 -102.6 3 2 2 21 278.415 4 ↓
Mid Mid (pH 6-8) 3.19 7.05 -41.66 2 2 1 20 277.407 4 ↓
Mid Mid (pH 6-8) 3.19 8.55 -31.36 2 2 1 16 277.407 4 ↓

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

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