In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2009 | 13 | Yes |
Popular Name: 1-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-amino-ethanone 1-[(8aS)-3,4,6,7,8,8a-hexahydro-…
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) | -1.25 | 1.98 | -98.69 | 4 | 4 | 2 | 52 | 185.271 | 1 | ↓ |
Hi High (pH 8-9.5) | -1.25 | -0.64 | -7.93 | 2 | 4 | 0 | 50 | 183.255 | 1 | ↓ |
Mid Mid (pH 6-8) | -1.25 | -0.24 | -46.48 | 3 | 4 | 1 | 51 | 184.263 | 1 | ↓ |
Mid Mid (pH 6-8) | -1.25 | 1.59 | -40.9 | 3 | 4 | 1 | 51 | 184.263 | 1 | ↓ |