In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 13 | Yes |
Popular Name: 2-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-methyl-ethanamine 2-[(4aS,7aR)-3,4a,5,6,7,7a-hexah…
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) | 0.86 | 1.7 | -39.76 | 2 | 3 | 1 | 29 | 185.291 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.86 | 3.78 | -112.97 | 3 | 3 | 2 | 30 | 186.299 | 3 | ↓ |