In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2009 | 21 | Yes |
Popular Name: (2R,3aR,7aS)-N-(1-isopropyl-4-piperidyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (2R,3aR,7aS)-N-(1-isopropyl-4-pi…
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) | 3.08 | 6.81 | -84.19 | 4 | 4 | 2 | 50 | 295.471 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.08 | 5.48 | -37.31 | 3 | 4 | 1 | 46 | 294.463 | 3 | ↓ |