In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2008 | 21 | No |
Popular Name: (2R,3S)-2,3-dimethyl-1-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidin-4-one (2R,3S)-2,3-dimethyl-1-[2-(2-met…
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) | 2.90 | 9.86 | -47.15 | 2 | 3 | 1 | 37 | 285.411 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.90 | 7.93 | -9.24 | 1 | 3 | 0 | 36 | 284.403 | 3 | ↓ |