In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 26th, 2010 | 19 | Yes |
Popular Name: 2-[[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]methyl]benzonitrile 2-[[(4aS,8aR)-2,3,4a,5,6,7,8,8a-…
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) | 2.68 | 6.36 | -6.41 | 0 | 3 | 0 | 36 | 256.349 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.68 | 8.39 | -34.44 | 1 | 3 | 1 | 37 | 257.357 | 2 | ↓ |