In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2009 | 16 | Yes |
Popular Name: [(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[(2S)-pyrrolidin-2-yl]methanone [(8aR)-3,4,6,7,8,8a-hexahydro-1H…
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) | 0.12 | 4.74 | -90.69 | 3 | 4 | 2 | 41 | 225.336 | 1 | ↓ |
Hi High (pH 8-9.5) | 0.12 | 1.39 | -8.84 | 1 | 4 | 0 | 36 | 223.32 | 1 | ↓ |
Mid Mid (pH 6-8) | 0.12 | 2.62 | -36.89 | 2 | 4 | 1 | 40 | 224.328 | 1 | ↓ |