| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2010 | 21 | Yes |
Popular Name: 2-[4-[(1S)-3-amino-1-ethyl-propyl]piperazin-1-yl]-N-cyclopropyl-N-ethyl-acetamide 2-[4-[(1S)-3-amino-1-ethyl-propy…
| 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) | 0.27 | 4.54 | -113.08 | 4 | 5 | 2 | 56 | 298.475 | 8 | ↓ |
| Hi High (pH 8-9.5) | 0.27 | 2.48 | -7.23 | 2 | 5 | 0 | 53 | 296.459 | 8 | ↓ |
| Mid Mid (pH 6-8) | 0.27 | 2.88 | -47.08 | 3 | 5 | 1 | 54 | 297.467 | 8 | ↓ |
| Mid Mid (pH 6-8) | 0.27 | 5.05 | -97.26 | 4 | 5 | 2 | 56 | 298.475 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
