In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 17 | Yes |
Popular Name: (1R,2S)-2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]cyclohexanamine (1R,2S)-2-[(4aS,8aS)-2,3,4a,5,6,…
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) | 1.84 | 3.03 | -2.31 | 2 | 3 | 0 | 38 | 238.375 | 1 | ↓ |
Mid Mid (pH 6-8) | 1.84 | 5.14 | -117.99 | 4 | 3 | 2 | 41 | 240.391 | 1 | ↓ |
Lo Low (pH 4.5-6) | 1.84 | 5.1 | -28.18 | 3 | 3 | 1 | 40 | 239.383 | 1 | ↓ |