| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 21st, 2011 | 21 | Yes |
Popular Name: (2R)-2-cyclopropyl-3-[methyl-[(3R)-1-methyl-3-piperidyl]amino]-2-(propylamino)propanoic (2R)-2-cyclopropyl-3-[methyl-[(3…
| 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) | -0.38 | 7.07 | -60.83 | 3 | 5 | 1 | 64 | 298.451 | 8 | ↓ |
| Hi High (pH 8-9.5) | -0.38 | 5.06 | -29.07 | 2 | 5 | 0 | 63 | 297.443 | 8 | ↓ |
| Hi High (pH 8-9.5) | -0.38 | 6.98 | -39.82 | 2 | 5 | 0 | 60 | 297.443 | 8 | ↓ |
| Mid Mid (pH 6-8) | -0.38 | 7.58 | -65.77 | 3 | 5 | 1 | 64 | 298.451 | 8 | ↓ |
| Lo Low (pH 4.5-6) | -0.38 | 9.39 | -134.31 | 4 | 5 | 2 | 66 | 299.459 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
