In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 23rd, 2009 | 20 | Yes |
Popular Name: (2R,3aR,7aR)-N-(2-morpholinoethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (2R,3aR,7aR)-N-(2-morpholinoethy…
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) | 1.87 | 1.75 | -40.53 | 3 | 5 | 1 | 58 | 282.408 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.87 | 0.59 | -9.97 | 2 | 5 | 0 | 54 | 281.4 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.87 | 4.02 | -94.75 | 4 | 5 | 2 | 59 | 283.416 | 4 | ↓ |