| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 21st, 2011 | 20 | Yes |
Popular Name: (2S)-2-cyclopropyl-2-(ethylamino)-3-[methyl-[(3R)-1-methyl-3-piperidyl]amino]propanoic (2S)-2-cyclopropyl-2-(ethylamino…
| 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) | -0.88 | 6.58 | -71.41 | 3 | 5 | 1 | 64 | 284.424 | 7 | ↓ |
| Hi High (pH 8-9.5) | -0.88 | 4.7 | -29 | 2 | 5 | 0 | 63 | 283.416 | 7 | ↓ |
| Hi High (pH 8-9.5) | -0.88 | 6.35 | -30.92 | 2 | 5 | 0 | 60 | 283.416 | 7 | ↓ |
| Mid Mid (pH 6-8) | -0.88 | 6.96 | -70.98 | 3 | 5 | 1 | 64 | 284.424 | 7 | ↓ |
| Lo Low (pH 4.5-6) | -0.88 | 8.95 | -151.98 | 4 | 5 | 2 | 66 | 285.432 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
