| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 26th, 2011 | 21 | Yes |
Popular Name: 3-[methyl-[1-[2-(2-pyridyl)ethyl]-4-piperidyl]amino]propanoic 3-[methyl-[1-[2-(2-pyridyl)ethyl…
| 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) | 0.91 | 7.44 | -46.85 | 1 | 5 | 0 | 61 | 291.395 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.91 | 9.67 | -98.7 | 2 | 5 | 1 | 62 | 292.403 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.91 | 7.19 | -65.38 | 1 | 5 | 0 | 61 | 291.395 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 0.91 | 10.03 | -165.08 | 3 | 5 | 2 | 63 | 293.411 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 0.91 | 7.78 | -76.98 | 2 | 5 | 1 | 62 | 292.403 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
