UCSF

ZINC49565123

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 18 Yes

Popular Name: (1S,8aR)-N-[2-(4-pyridyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1S,8aR)-N-[2-(4-pyridyl)ethyl]-…

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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) 1.66 6.5 -34.5 2 3 1 29 246.378 4 ↓
Hi High (pH 8-9.5) 1.66 4.24 -3.91 1 3 0 28 245.37 4 ↓
Hi High (pH 8-9.5) 1.66 5.37 -47.94 2 3 1 33 246.378 4 ↓
Mid Mid (pH 6-8) 1.66 6.96 -74.44 3 3 2 31 247.386 4 ↓
Lo Low (pH 4.5-6) 1.66 8.09 -180.27 4 3 3 35 248.394 4 ↓

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

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