UCSF

ZINC70104607

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2011 19 Yes

Popular Name: (1R,5S)-9-[(1S)-1-(cyclopropylmethyl)propyl]-N-ethyl-9-azabicyclo[3.3.1]nonan-7-amine (1R,5S)-9-[(1S)-1-(cyclopropylme…

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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) 3.78 9.01 -100.61 3 2 2 21 266.473 6 ↓
Hi High (pH 8-9.5) 3.78 7.82 -27.1 2 2 1 16 265.465 6 ↓
Mid Mid (pH 6-8) 3.78 7.76 -36.01 2 2 1 20 265.465 6 ↓

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

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