In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 9th, 2008 | 17 | Yes |
Popular Name: 2-isobutyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole 2-isobutyl-3,4-dihydro-1H-pyrazi…
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) | 2.39 | 6.8 | -8.33 | 0 | 3 | 0 | 21 | 229.327 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.39 | 8.74 | -45.33 | 1 | 3 | 1 | 22 | 230.335 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.39 | 7.22 | -24.79 | 1 | 3 | 1 | 22 | 230.335 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.39 | 9.16 | -102.2 | 2 | 3 | 2 | 24 | 231.343 | 2 | ↓ |