| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 1st, 2011 | 20 | Yes |
Popular Name: (2S)-2-(cyclopropylamino)-4-[4-(dimethylaminomethyl)-1-piperidyl]butanoic (2S)-2-(cyclopropylamino)-4-[4-(…
| 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) | -0.66 | 9.38 | -139.46 | 4 | 5 | 2 | 66 | 285.432 | 8 | ↓ |
| Mid Mid (pH 6-8) | -0.66 | 8.54 | -97.66 | 3 | 5 | 1 | 61 | 284.424 | 8 | ↓ |
| Mid Mid (pH 6-8) | -0.66 | 7.16 | -67.45 | 3 | 5 | 1 | 64 | 284.424 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
