UCSF

ZINC69791365

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 16 Yes

Popular Name: (1R,5S)-9-but-3-ynyl-N-ethyl-9-azabicyclo[3.3.1]nonan-7-amine (1R,5S)-9-but-3-ynyl-N-ethyl-9-a…

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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) 2.21 6.22 -36.95 2 2 1 20 221.368 4 ↓
Lo Low (pH 4.5-6) 2.21 7.65 -100.5 3 2 2 21 222.376 4 ↓

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Rings

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

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