In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 12th, 2008 | 18 | Yes |
Popular Name: 3-[[(1S,8aR)-1-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c]pyrazin-2-yl]methyl]phenol 3-[[(1S,8aR)-1-methyl-3,4,6,7,8,…
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) | 1.85 | 4.6 | -35.45 | 2 | 3 | 1 | 28 | 247.362 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.85 | 2.88 | -5.46 | 1 | 3 | 0 | 27 | 246.354 | 2 | ↓ |