In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 16 | Yes |
Popular Name: (4aS,7aS)-4-[[(2S)-2-piperidyl]methyl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine (4aS,7aS)-4-[[(2S)-2-piperidyl]m…
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) | 1.75 | 3.97 | -35.82 | 2 | 3 | 1 | 29 | 225.356 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.75 | 5.87 | -115.49 | 3 | 3 | 2 | 30 | 226.364 | 2 | ↓ |