| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 20th, 2010 | 21 | Yes |
Popular Name: (3S)-1-benzyl-N-[(5-methylisoxazol-3-yl)methyl]piperidin-3-amine (3S)-1-benzyl-N-[(5-methylisoxaz…
| 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) | 2.26 | 7.59 | -39.8 | 2 | 4 | 1 | 42 | 286.399 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.26 | 5.39 | -7.71 | 1 | 4 | 0 | 41 | 285.391 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.26 | 6.55 | -43.87 | 2 | 4 | 1 | 46 | 286.399 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.26 | 8.77 | -120.79 | 3 | 4 | 2 | 47 | 287.407 | 5 | ↓ |
