In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2011 | 16 | Yes |
Popular Name: (2S)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(methylamino)propanenitrile (2S)-3-(6,8-dihydro-5H-imidazo[1…
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) | -0.23 | 2.5 | -29.37 | 2 | 5 | 1 | 58 | 220.3 | 3 | ↓ |
Hi High (pH 8-9.5) | -0.23 | 2.04 | -13.83 | 1 | 5 | 0 | 57 | 219.292 | 3 | ↓ |
Lo Low (pH 4.5-6) | -0.23 | 3.75 | -91.59 | 3 | 5 | 2 | 63 | 221.308 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.