UCSF

ZINC61361811

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2011 20 Yes

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

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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) 3.84 9.88 -166.04 3 2 0 21 294.508 4 ↓
Mid Mid (pH 6-8) 3.84 9.68 -36.22 2 2 1 20 293.5 4 ↓
Mid Mid (pH 6-8) 3.84 8.99 -64.48 2 2 0 16 293.5 4 ↓

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Rings

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

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