UCSF

ZINC65525882

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2011 26 Yes

Popular Name: (1-isopropyl-4-piperidyl)-[(1S)-1-(2-pyridyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone (1-isopropyl-4-piperidyl)-[(1S)-…

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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) 2.23 10.58 -47.08 1 5 1 43 353.49 3 ↓
Hi High (pH 8-9.5) 2.23 8.37 -12.92 0 5 0 41 352.482 3 ↓
Lo Low (pH 4.5-6) 2.23 10.62 -82.39 2 5 2 44 354.498 3 ↓

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

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