In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 26th, 2010 | 15 | Yes |
Popular Name: 4-[(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]butanenitrile 4-[(4aR,8aS)-2,3,4a,5,6,7,8,8a-o…
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) | 1.30 | 4.27 | -7.86 | 0 | 3 | 0 | 36 | 208.305 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.30 | 6.44 | -47.42 | 1 | 3 | 1 | 37 | 209.313 | 3 | ↓ |