In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 17th, 2011 | 22 | Yes |
Popular Name: (3S)-3-hydroxy-3-[[2-hydroxyethyl(methyl)amino]methyl]-1-phenethyl-piperidin-2-one (3S)-3-hydroxy-3-[[2-hydroxyethy…
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) | 0.69 | 4.51 | -30.61 | 3 | 5 | 1 | 65 | 307.414 | 7 | ↓ |
Hi High (pH 8-9.5) | 0.69 | 2.23 | -8.97 | 2 | 5 | 0 | 64 | 306.406 | 7 | ↓ |