In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 21st, 2009 | 23 | Yes |
Popular Name: [(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c]pyrazin-2-yl]-(3,4-diethoxyphenyl)methanone [(8aS)-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) | 1.58 | 8.4 | -47.74 | 1 | 5 | 1 | 43 | 319.425 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.58 | 6.14 | -10.4 | 0 | 5 | 0 | 42 | 318.417 | 5 | ↓ |