UCSF

ZINC49565322

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 20 Yes

Popular Name: (2S)-2-[[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-1-(1-piperidyl)propan-1-one (2S)-2-[[(1R,8aR)-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) 1.73 6.62 -34.31 2 4 1 37 280.436 3 ↓
Hi High (pH 8-9.5) 1.73 4.38 -7.45 1 4 0 36 279.428 3 ↓
Hi High (pH 8-9.5) 1.73 5.55 -34.78 2 4 1 40 280.436 3 ↓

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

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