In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 20 | Yes |
Popular Name: 4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2,2-diethyl-4-oxo-butanoic 4-[(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) | 1.29 | 8.7 | -77.07 | 1 | 5 | 0 | 65 | 282.384 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.29 | 6.62 | -57.61 | 0 | 5 | -1 | 64 | 281.376 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.29 | 6.31 | -39.8 | 2 | 5 | 1 | 62 | 283.392 | 5 | ↓ |