| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2009 | 20 | Yes |
Popular Name: [(3S)-1-benzyl-3-pyrrolidin-1-yl-3-piperidyl]methanamine [(3S)-1-benzyl-3-pyrrolidin-1-yl…
| 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) | 1.44 | 4.51 | -40.13 | 3 | 3 | 1 | 34 | 274.432 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.44 | 5.37 | -35.41 | 3 | 3 | 1 | 34 | 274.432 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.44 | 6.43 | -119.71 | 4 | 3 | 2 | 35 | 275.44 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
