In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2011 | 23 | Yes |
Popular Name: 2-[[1-(2-hydroxyethyl)-4-piperidyl]methyl-methyl-amino]-N-[(1S)-1-(2-thienyl)ethyl]acetamide 2-[[1-(2-hydroxyethyl)-4-piperid…
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) | 1.98 | 6.23 | -95.25 | 4 | 5 | 2 | 58 | 341.521 | 8 | ↓ |
Hi High (pH 8-9.5) | 1.98 | 4.28 | -36.74 | 3 | 5 | 1 | 57 | 340.513 | 8 | ↓ |
Hi High (pH 8-9.5) | 1.98 | 1.95 | -8.77 | 2 | 5 | 0 | 56 | 339.505 | 8 | ↓ |