In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2008 | 21 | Yes |
Popular Name: (2S,3aS,7aS)-N-methyl-N-(p-tolylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (2S,3aS,7aS)-N-methyl-N-(p-tolyl…
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) | 4.08 | 9 | -37.89 | 2 | 3 | 1 | 37 | 287.427 | 3 | ↓ |
Hi High (pH 8-9.5) | 4.08 | 7.93 | -9.96 | 1 | 3 | 0 | 32 | 286.419 | 3 | ↓ |