In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 30th, 2008 | 19 | Yes |
Popular Name: (8aR)-2-[2-(4-methoxyphenyl)ethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (8aR)-2-[2-(4-methoxyphenyl)ethy…
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) | 2.49 | 6.95 | -35.32 | 1 | 3 | 1 | 17 | 261.389 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.49 | 4.68 | -3.8 | 0 | 3 | 0 | 16 | 260.381 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.49 | 9.28 | -118.08 | 2 | 3 | 2 | 18 | 262.397 | 4 | ↓ |