UCSF

ZINC62319446

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2011 15 Yes

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

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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) -0.61 2.62 -32.9 3 5 1 72 206.273 2 ↓
Hi High (pH 8-9.5) -0.61 1.36 -15.34 2 5 0 71 205.265 2 ↓
Lo Low (pH 4.5-6) -0.61 2.1 -96.47 4 5 2 74 207.281 2 ↓

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

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