UCSF

ZINC62319543

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2011 17 Yes

Popular Name: (2S)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(propylamino)propanenitrile (2S)-3-(6,8-dihydro-5H-imidazo[1…

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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) 0.20 4.22 -37.07 2 5 1 58 234.327 5 ↓
Hi High (pH 8-9.5) 0.20 3.77 -11.58 1 5 0 57 233.319 5 ↓
Lo Low (pH 4.5-6) 0.20 5.28 -101.28 3 5 2 63 235.335 5 ↓

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

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