In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 20 | Yes |
Popular Name: (2S,4S,5S)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-1,2,5-trimethyl-piperidin-4-amine (2S,4S,5S)-N-[(1R)-1-(2,5-dimeth…
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) | 4.11 | 9.97 | -100.94 | 3 | 2 | 2 | 21 | 276.468 | 3 | ↓ |
Hi High (pH 8-9.5) | 4.11 | 9.44 | -34.28 | 2 | 2 | 1 | 16 | 275.46 | 3 | ↓ |
Hi High (pH 8-9.5) | 4.11 | 7.69 | -35.39 | 2 | 2 | 1 | 20 | 275.46 | 3 | ↓ |