In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 13 | Yes |
Popular Name: 3-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]propan-1-amine 3-[(4aR,7aS)-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) | 0.14 | 0.65 | -44.2 | 3 | 3 | 1 | 40 | 185.291 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.14 | 2.71 | -107.56 | 4 | 3 | 2 | 41 | 186.299 | 3 | ↓ |