UCSF

ZINC49564970

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 19 Yes

Popular Name: (2S)-1-[[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-3-pyrrolidin-1-yl-propan-2-ol (2S)-1-[[(1R,8aS)-1,2,3,5,6,7,8,…

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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) 0.93 4.57 -77.52 4 4 2 41 269.433 5 ↓
Hi High (pH 8-9.5) 0.93 3.98 -40.57 3 4 1 47 268.425 5 ↓
Hi High (pH 8-9.5) 0.93 0.93 -40.24 3 4 1 43 268.425 5 ↓
Mid Mid (pH 6-8) 0.93 6.24 -99.48 4 4 2 49 269.433 5 ↓
Mid Mid (pH 6-8) 0.93 3.46 -106.08 4 4 2 45 269.433 5 ↓

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

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