UCSF

ZINC62319532

Draw Identity 99% 90% 80% 70%

Substance Information

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

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

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Download: MOL2 SDF SMILES Flexibase

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) -0.68 2.54 -36.67 2 5 1 58 206.273 3 ↓
Hi High (pH 8-9.5) -0.68 2.07 -11.75 1 5 0 57 205.265 3 ↓
Lo Low (pH 4.5-6) -0.68 3.69 -100.27 3 5 2 63 207.281 3 ↓

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

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