UCSF

ZINC70094222

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2011 21 Yes

Popular Name: (1R,5S)-N-[(6-methoxy-2-pyridyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (1R,5S)-N-[(6-methoxy-2-pyridyl)…

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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) 2.40 6.05 -40.48 2 4 1 42 290.431 6 ↓
Lo Low (pH 4.5-6) 2.40 6.4 -104.27 3 4 2 43 291.439 6 ↓

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Rings

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

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