In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 14 | Yes |
Popular Name: 3-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]propanoic 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) | 0.59 | 3.17 | -43.76 | 0 | 4 | -1 | 53 | 198.242 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.59 | 5.23 | -43.31 | 1 | 4 | 0 | 54 | 199.25 | 3 | ↓ |