In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 16 | Yes |
Popular Name: (3S)-3-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]pentan-1-amine (3S)-3-[(4aS,8aS)-2,3,4a,5,6,7,8…
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) | 1.52 | 2.48 | -45.04 | 3 | 3 | 1 | 40 | 227.372 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.52 | 4.08 | -111.56 | 4 | 3 | 2 | 41 | 228.38 | 4 | ↓ |