In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 21 | Yes |
Popular Name: (2S,4R,5S)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]-1,2,5-trimethyl-piperidin-4-amine (2S,4R,5S)-N-[(1S)-1-(4-ethoxyph…
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) | 3.71 | 9.51 | -100.62 | 3 | 3 | 2 | 30 | 292.467 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.71 | 8.61 | -32.74 | 2 | 3 | 1 | 26 | 291.459 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.71 | 7.55 | -38.67 | 2 | 3 | 1 | 29 | 291.459 | 5 | ↓ |