In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2008 | 20 | Yes |
Popular Name: (2R,3aS,7aS)-N-[(4-chlorophenyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (2R,3aS,7aS)-N-[(4-chlorophenyl)…
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) | 4.07 | 6.62 | -39.47 | 3 | 3 | 1 | 46 | 293.818 | 3 | ↓ |
Hi High (pH 8-9.5) | 4.07 | 5.4 | -6.67 | 2 | 3 | 0 | 41 | 292.81 | 3 | ↓ |